<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347903</id>
  <title nil="true"/>
  <common-name>4-methylsulfonyl-n-[2-[(4-methylsulfonylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide</common-name>
  <description>4-methylsulfonyl-n-[2-[(4-methylsulfonylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is a chemical compound with the formula C28H26N4O6S2. With an average molecular weight of 578.70 g/mol, 4-methylsulfonyl-n-[2-[(4-methylsulfonylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide is a heavy molecule.</description>
  <cas>77502-35-3</cas>
  <pubchem-id>3059942</pubchem-id>
  <chemical-formula>C28H26N4O6S2</chemical-formula>
  <weight>578.7</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">2026-08-31T11:45:17Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:45:17Z</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>CS(=O)(=O)C1=CC=C(C=C1)C(=O)NC(C2=CC=NC=C2)C(C3=CC=NC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)C</moldb-smiles>
  <moldb-formula>C28H26N4O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H26N4O6S2/c1-39(35,36)23-7-3-21(4-8-23)27(33)31-25(19-11-15-29-16-12-19)26(20-13-17-30-18-14-20)32-28(34)22-5-9-24(10-6-22)40(2,37)38/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)</moldb-inchi>
  <moldb-inchikey>HYSQMNYAFPIVPG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">578.1293769</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM343796</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>4-methylsulfonyl-n-[2-[(4-methylsulfonylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298239</sync-id>
  <structure-inchikey>HYSQMNYAFPIVPG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000000000400000000000000000000000000000000000000000000000001000000020000002100000000000000000000000002000000000000000000000000000000800000000020000000000800001000000000000000001000010000000000000000000000000000000000000000000000000000000000000040000000000200000000000080000002080000800000000000000008000000000000000000000400084000000000000002000000080000000000000000000000000000001000000000000000500000084000000000000200000000000000000000000000002040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAAKwAAAIABBgBgAAAAAQMQACAAAAAG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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:27Z</structure-indexed-at>
</compound>
