491941 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 44 45 16 16 8 8 8 7 7 7 7 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 1 1 2 2 3 6 6 6 7 7 8 8 9 9 10 10 10 10 11 11 14 15 16 16 17 17 18 18 18 19 20 21 21 21 22 22 22 23 24 24 25 25 26 26 27 4 5 8 14 13 14 12 12 13 21 13 15 41 42 23 26 11 12 28 29 16 17 15 22 19 30 20 31 19 20 23 32 33 34 35 36 37 38 39 24 25 40 27 43 27 44 45 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 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 44 45 3.0878 4.4727 4.5772 4.0013 2.1742 5.4432 3.6636 2.681 5.4432 6.3092 6.3092 5.4432 4.5772 3.4945 2.9945 5.4432 7.1753 6.3092 5.4432 7.1753 6.3092 2 6.3092 7.1753 7.1753 5.4432 6.3092 6.5213 6.9198 4.9063 7.7122 4.9063 7.7122 5.9992 6.8462 6.6192 2.0648 1.3834 1.9352 7.7122 3.0455 2.0644 7.7122 4.9063 6.3092 -4.3504 -3.229 -0.2344 -4.7572 -3.9437 -1.7344 -1.8277 -5.264 4.2656 -0.2344 0.7656 -0.7344 -2.2344 -3.4369 -2.5708 1.2656 1.2656 2.7656 2.2656 2.2656 -2.2344 -2.4663 3.7656 4.2656 5.2656 5.2656 5.7656 -0.8171 -0.1268 0.9556 0.9556 2.5756 2.5756 -2.7714 -2.5444 -1.6975 -1.8497 -2.4015 -3.0829 3.9556 -5.7656 -5.3288 5.5756 5.5756 6.3856 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 9 9 11 11 14 16 17 18 18 23 24 25 26 13 14 13 15 23 26 16 17 15 19 20 19 20 24 25 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 617 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0006000000000000000000000000001600000003C400000000000000001F000001E04104000000C08C1DE043F919308100AAC0335777470C2F1B9710A3809D8353864988820F2E09D91842008688302C8C8271888C08E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-[4-(2-pyridyl)phenyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-(4-methyl-5-sulfamoyl-2-thiazolyl)-2-[4-(2-pyridinyl)phenyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-methyl-<I>N</I>-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)-2-[4-(2-pyridyl)phenyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IVZKZONQVYTCKC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.08203280 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H18N4O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 143 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 402.08203280 27 0 0 0 0 0 0 0 1 -1