<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325812</id>
  <title nil="true"/>
  <common-name>N-[4-(4-chlorophenyl)sulfanylphenyl]-4-ethoxybenzamide</common-name>
  <description>N-[4-(4-chlorophenyl)sulfanylphenyl]-4-ethoxybenzamide is a chemical compound with the formula C21H18ClNO2S. It has an average molecular weight of 383.90 g/mol.</description>
  <cas>618443-31-5</cas>
  <pubchem-id>3821783</pubchem-id>
  <chemical-formula>C21H18ClNO2S</chemical-formula>
  <weight>383.9</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T03:47:03Z</created-at>
  <updated-at type="dateTime">2026-08-30T03:47:03Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C21H18ClNO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C21H18ClNO2S/c1-2-25-18-9-3-15(4-10-18)21(24)23-17-7-13-20(14-8-17)26-19-11-5-16(22)6-12-19/h3-14H,2H2,1H3,(H,23,24)</moldb-inchi>
  <moldb-inchikey>ADHKIXCHNKNXQC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">383.0746777</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM321705</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>N-[4-(4-chlorophenyl)sulfanylphenyl]-4-ethoxybenzamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0276438</sync-id>
  <structure-inchikey>ADHKIXCHNKNXQC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400800002000800000000000000000100000080000400000000000002000000200000000000000000000000000000000000000002000000000000000080400000000000000000000020000000000100000200000000000000000000011080000010000000000000000000000020000000000000000000000000000040020400000000000000000080000000000000000000020001000000000000000000000000000000084000000000000000080000000000000000000000000000000000000000000000000000400010004000000000000200000000001020008000000000000040000000000400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>511000000933064081000940012820000000040001052000003100408204080c4c020854008000000000410800800000046000a4c08d30010020643000a04010c6110c00028006100090100000720200000405805101113240000422000249000c2005260048820000000400d5340009200080500121e0047118000002710002104000180ef082080c020250082c0008111d08124c4014821000082000404080c04310001090c00000000960057c27100ac00000894108401000021008c002100000028424480022018084040405028008000000420050000d0000000800020010004110088100000000000350122000001000308442000e0008108050000606</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(�������h�������@(������@h�������@h�������@(������@h�������@h�������� �����@(������@h�������@h�������@(������@h�������@h�������� ������������� ��h���h���h���h���h��	 	
(�	� �� �h��h���h���h���h���������h���h���h���h���h������h���h���h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:29:38Z</structure-indexed-at>
</compound>
