70789846 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 49 50 51 52 53 54 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 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 1 1 1 1 2 2 5 6 6 7 7 7 8 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 16 16 16 17 17 17 18 18 19 19 20 20 20 21 21 21 22 22 22 23 24 25 27 3 4 6 14 26 27 15 12 13 15 26 45 25 26 10 11 15 28 16 29 30 17 31 32 21 33 34 22 35 36 18 19 37 38 39 40 41 42 23 43 24 44 23 24 25 46 47 48 49 50 51 52 53 27 54 2 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 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 49 50 51 52 53 54 3 2.5 4 2 2.6865 3 4.0878 3.809 4.2688 3.8621 5.2634 2.134 3.866 3 3.681 4.4499 5.8511 3.866 2.134 3 2.134 3.866 3.866 2.134 3 3.5 2.191 3.6522 3.3481 3.4314 5.8206 5.0925 1.5234 1.9219 4.0781 4.4766 3.9483 4.8143 4.9515 5.3496 6.2156 6.3527 4.403 1.597 4.7044 2.754 2.134 1.514 4.486 3.866 3.246 4.403 1.597 1.6013 3.6465 -1.8924 3.6465 3.6465 -3.7194 4.6465 -2.7014 -0.9413 -4.4239 -5.3375 -4.3194 5.1465 5.1465 2.6465 -3.6149 -6.1465 -5.1284 2.1465 2.1465 0.6465 6.1465 6.1465 1.1465 1.1465 -0.3535 -1.8924 -0.9413 -4.4887 -4.9908 -5.7835 -4.0476 -3.7234 5.2542 4.5639 4.5639 5.2542 -6.5109 -6.6481 -5.7821 -5.4928 -5.63 -4.764 2.4565 2.4565 -2.6366 6.1465 6.7665 6.1465 6.1465 6.7665 6.1465 0.8365 0.8365 -0.7497 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 14 14 18 19 20 20 25 26 27 25 26 18 19 23 24 23 24 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 563 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300060000000000000000000000000016000000030000000000000000001C000001E04104000000D08C5DE04B39192C8100AAC0325727470C2F0B9610A3909883D3824988820B2A099118420086891028888271080800E10000000000000002000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]-2-ethyl-butanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]-2-thiazolyl]-2-ethylbutanamide 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]-2-ethylbutanamide 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]-2-ethylbutanamide 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]-2-ethyl-butanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-[4-(diethylsulfamoyl)phenyl]thiazol-2-yl]-2-ethyl-butyramide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H27N3O3S2/c1-5-14(6-2)18(23)21-19-20-17(13-26-19)15-9-11-16(12-10-15)27(24,25)22(7-3)8-4/h9-14H,5-8H2,1-4H3,(H,20,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DXOYLNAYHDZSIC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.14938408 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H27N3O3S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC(CC)C(=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(CC)C(=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 2021.10.14 409.14938408 27 0 0 0 0 0 0 0 1 -1