70680652 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 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 2 2 5 6 6 7 7 8 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 22 22 22 22 24 24 24 3 4 6 11 20 21 23 9 10 19 21 21 23 40 14 25 26 15 27 28 12 13 17 29 18 30 31 32 33 34 35 36 17 18 19 37 38 20 39 23 24 41 42 43 44 45 2 2 1 1 1 1 2 1 1 1 2 1 1 1 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 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 2.5 4 2 2.6865 3 3.809 4.0878 3.866 2.134 3 3.866 2.134 3.866 2.134 3 3.866 2.134 3 2.191 3.5 4.2688 3.681 3.8621 4.0781 4.4766 1.5234 1.9219 4.403 1.597 4.486 3.866 3.246 2.754 2.134 1.514 4.403 1.597 1.6013 4.7044 4.7828 4.6995 3.2957 3.6099 4.4285 3.242 -2.2969 3.242 3.242 -4.124 4.242 -1.3458 -3.1059 4.742 4.742 2.242 1.742 1.742 5.742 5.742 0.242 0.742 0.742 -0.758 -1.3458 -2.2969 -4.8284 -4.0194 -5.742 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 -1.1542 -3.0411 -5.1751 -4.3825 -5.4898 -6.3084 -5.9942 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 11 11 12 13 16 16 19 20 21 19 21 12 13 17 18 17 18 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 509 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300060000000000000000000000000016000000030000000000000000001C000001E04104000000C08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883D3824988820A2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]propanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-2-thiazolyl]propanamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]propanamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]propanamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]propanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]propionamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H21N3O3S2/c1-4-15(20)18-16-17-14(11-23-16)12-7-9-13(10-8-12)24(21,22)19(5-2)6-3/h7-11H,4-6H2,1-3H3,(H,17,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IVVFZHFOUMROQR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.10243389 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H21N3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)N(CC)CC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 116 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.10243389 24 0 0 0 0 0 0 0 1 -1