9324132 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 8 8 8 9 10 10 10 11 11 12 14 14 15 15 15 16 16 17 17 18 18 18 19 20 20 21 22 23 23 24 24 25 22 25 13 19 6 13 27 7 19 30 7 9 11 9 12 15 26 13 14 16 12 28 29 17 18 31 32 33 20 34 21 35 36 37 38 22 21 39 40 23 24 41 25 42 43 1 1 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 2.6691 8.7788 4.4487 7.0468 5.3147 7.0468 6.1808 7.9128 7.9128 7.9128 6.1808 7.0468 7.9128 8.7788 8.7788 7.0468 8.7788 9.6448 4.4487 7.0468 7.9128 3.5827 3.4782 2.5 2 8.4497 6.5098 5.6438 7.0468 5.3147 8.4688 9.3158 9.0888 6.5098 9.3158 9.3348 10.1818 9.9548 6.5098 7.9128 3.9389 2.2478 1.3834 -1.6567 -0.25 -2.75 -0.25 -1.25 -1.25 -1.75 -2.75 -1.75 1.25 -2.75 -3.25 0.25 1.75 -3.25 1.75 2.75 1.25 -1.75 2.75 3.25 -1.25 -0.2555 -0.0476 -0.9136 -1.44 0.06 -3.06 -3.87 -0.63 -3.7869 -3.56 -2.7131 1.44 3.06 0.7131 0.94 1.7869 3.06 3.87 0.1594 0.5188 -0.9784 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 8 8 10 10 11 14 16 17 20 22 23 24 22 25 7 9 11 9 12 14 16 12 17 20 21 21 23 24 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300040000000000000000000000000012000000030600000000000000001D000001E04100000000C0885D800B2C182C000088C0225525000830080250A104888190074C8086032E09591942108609400E8C9871888808E88000040001000201000008000200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methyl-2-[(2-methylphenyl)carbonylamino]phenyl]thiophene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-methyl-2-(o-toluoylamino)phenyl]thiophene-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H18N2O2S/c1-13-9-10-16(21-20(24)18-8-5-11-25-18)17(12-13)22-19(23)15-7-4-3-6-14(15)2/h3-12H,1-2H3,(H,21,24)(H,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HXBMWDNXMNTYLW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.10889899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H18N2O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)C3=CC=CC=C3C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.10889899 25 0 0 0 0 0 0 0 1 -1