320838 <common-name>4-[[1-(4-carboxyanilino)-2-oxo-2-thiophen-2-ylethyl]amino]benzoic acid</common-name> <description>4-[[1-(4-carboxyanilino)-2-oxo-2-thiophen-2-ylethyl]amino]benzoic acid is a chemical compound with the formula C20H16N2O5S. It has an average molecular weight of 396.40 g/mol.</description> <cas>303104-66-7</cas> <pubchem-id>988532</pubchem-id> <chemical-formula>C20H16N2O5S</chemical-formula> <weight>396.4</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">2026-08-29T19:59:00Z</created-at> <updated-at type="dateTime">2026-08-29T19:59:00Z</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>C1=CSC(=C1)C(=O)C(NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O</moldb-smiles> <moldb-formula>C20H16N2O5S</moldb-formula> <moldb-inchi>InChI=1S/C20H16N2O5S/c23-17(16-2-1-11-28-16)18(21-14-7-3-12(4-8-14)19(24)25)22-15-9-5-13(6-10-15)20(26)27/h1-11,18,21-22H,(H,24,25)(H,26,27)</moldb-inchi> <moldb-inchikey>LOLFXYXYSWVGII-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">396.0779928</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM316731</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-[[1-(4-carboxyanilino)-2-oxo-2-thiophen-2-ylethyl]amino]benzoic acid</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>CED0271567</sync-id> <structure-inchikey>LOLFXYXYSWVGII-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000001000000280000000000000000000100000000000040000000008000000000000000000000000124000000100000000080000000000000000000000000040000000000000000000020000010002000000000000000000200000000010000000010000000000000000010000000000000000000000000000000000000000000800000000000200080000000000000000000000000000000000000000000000000000000084000040000000000000000000000000000000000000001000000000000000000000000000000004000000000000200000000000000000000000000000040000000000400000000040000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</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���h�B����������� �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:25:52Z</structure-indexed-at> </compound>