70680669 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 46 47 48 16 16 8 8 8 7 7 7 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 1 1 1 1 1 2 2 5 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 15 15 16 16 16 17 18 19 20 20 20 20 23 23 23 24 24 24 25 3 4 6 11 22 25 21 9 10 21 22 48 19 22 14 26 27 15 28 29 12 13 17 30 18 31 32 33 34 35 36 37 17 18 19 38 39 25 21 23 24 40 41 42 43 44 45 46 47 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 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 46 47 48 3 2.5 4 2 2.6865 3 4.0878 3.809 3.866 2.134 3 2.134 3.866 3.866 2.134 3 2.134 3.866 3 4.2688 3.681 3.5 3.8621 5.2634 2.191 4.0781 4.4766 1.5234 1.9219 1.597 4.403 4.486 3.866 3.246 2.754 2.134 1.514 1.597 4.403 3.6522 3.2957 3.6099 4.4285 5.3282 5.88 5.1986 1.6013 4.7044 3.242 -2.2969 3.242 3.242 -4.124 4.242 -3.1059 -1.3458 4.742 4.742 2.242 1.742 1.742 5.742 5.742 0.242 0.742 0.742 -0.758 -4.8284 -4.0194 -2.2969 -5.742 -4.7239 -1.3458 4.1594 4.8496 4.8496 4.1594 2.052 2.052 5.742 6.362 5.742 5.742 6.362 5.742 0.432 0.432 -4.8932 -5.4898 -6.3084 -5.9942 -5.3405 -4.6591 -4.1073 -1.1542 -3.0411 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 11 11 12 13 16 16 19 22 25 19 22 12 13 17 18 17 18 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 536 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300060000000000000000000000000016000000030000000000000000001C000001E04104000000D08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883D3824988820A2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]-2-methyl-propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[4-(diethylsulfamoyl)phenyl]-2-thiazolyl]-2-methylpropanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-methyl-propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]-2-methyl-propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H23N3O3S2/c1-5-20(6-2)25(22,23)14-9-7-13(8-10-14)15-11-24-17(18-15)19-16(21)12(3)4/h7-12H,5-6H2,1-4H3,(H,18,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VEXWBAPRZKJOBS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11808395 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H23N3O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 116 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.11808395 25 0 0 0 0 0 0 0 1 -1