330843 <common-name>4-methyl-n-[(z)-1-(3-methylthiophen-2-yl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide</common-name> <description>4-methyl-n-[(z)-1-(3-methylthiophen-2-yl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]benzamide is a chemical compound with the formula C22H21N3O2S. It has an average molecular weight of 391.50 g/mol.</description> <cas>624726-84-7</cas> <pubchem-id>15945100</pubchem-id> <chemical-formula>C22H21N3O2S</chemical-formula> <weight>391.5</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">2026-08-30T11:31:37Z</created-at> <updated-at type="dateTime">2026-08-30T11:31:37Z</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>CC1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CS2)C)C(=O)NCC3=CC=NC=C3</moldb-smiles> <moldb-formula>C22H21N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C22H21N3O2S/c1-15-3-5-18(6-4-15)21(26)25-19(13-20-16(2)9-12-28-20)22(27)24-14-17-7-10-23-11-8-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)/b19-13-</moldb-inchi> <moldb-inchikey>BEWTVFPSCKFNFU-UYRXBGFRSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">391.1354481</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM326736</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-methyl-n-[(z)-1-(3-methylthiophen-2-yl)-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-en-2-yl]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>CED0281387</sync-id> <structure-inchikey>BEWTVFPSCKFNFU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000800000000000000000000000000004000000001000010000000000000000000000000000002100800000000000000000000002040000000000000060000000000000000000020020000010000200000000000000000000000000010000000000000000000000000000002010000080000000000000000000000040000000000000030000000080000000000000a00000000000000080000000000000000000000000084100000000000000000000000000000000000000000001040000001100010000000000400000004000002000002220800000000000000100000000002040000000000480000010000000000000000002000000</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�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:18Z</structure-indexed-at> </compound>