32288451 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 16 8 8 8 8 8 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 2 2 3 3 4 4 7 8 8 9 9 9 10 10 10 11 11 12 13 13 14 14 14 15 16 16 17 18 18 19 19 20 21 22 22 23 23 24 25 25 25 5 6 8 12 12 18 15 23 17 23 24 10 14 22 24 40 11 26 27 13 16 19 15 28 29 30 31 17 20 32 20 21 22 21 33 34 35 36 37 38 39 25 41 42 43 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 2 1 1 2 1 1 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 6.7512 5.7807 12.0276 12.0276 6.2512 7.2512 3.5823 7.6172 3.4013 8.4833 9.3493 5.8852 10.2153 7.6172 11.0813 9.3493 11.0813 4.8025 4.9716 10.2153 4.3025 4.3958 12.6112 2.9945 2 8.8818 8.0847 10.2153 6.9972 7.6172 8.2372 8.8124 4.8427 10.2153 3.6859 4.9974 4.3525 13.072 13.072 3.0368 2.0648 1.3834 1.9352 -1.2215 0.273 -1.4168 -3.0263 -2.0876 -0.3555 3.2215 -1.7215 1.499 -1.2215 -1.7215 -0.7215 -1.2215 -2.7215 -1.7215 -2.7215 -2.7215 0.4809 -1.1283 -3.2215 -0.3851 1.3944 -2.2215 2.4125 2.517 -0.7466 -0.7466 -0.6015 -2.7215 -3.3415 -2.7215 -3.0315 -1.7347 -3.8415 -0.4499 1.5444 2.0129 -2.6363 -1.8068 0.9974 3.1336 2.5819 1.9004 8 8 8 8 8 8 8 8 8 8 8 2 2 11 11 12 13 15 16 17 18 19 12 18 13 16 19 15 17 20 20 21 21 0 Compound Canonicalized 5 2009.05.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 580 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380060000000000000000000000000012240000030000000000000004801C000001E04104000000C04C1D807320F82C0040A8C0221521070C309902028104888980E8C881D2622A4B11BA4302A64D611AEA807B0D0120E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]-2-thienyl]methyl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]-2-thiophenyl]methyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[[5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]methyl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]methyl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[5-[1,3-benzodioxol-5-ylmethyl(methyl)sulfamoyl]thiophen-2-yl]methyl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[5-[methyl(piperonyl)sulfamoyl]-2-thienyl]methyl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H18N2O5S2/c1-11(19)17-8-13-4-6-16(24-13)25(20,21)18(2)9-12-3-5-14-15(7-12)23-10-22-14/h3-7H,8-10H2,1-2H3,(H,17,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LKPBJIACRAUCER-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.06571403 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H18N2O5S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NCC1=CC=C(S1)S(=O)(=O)N(C)CC2=CC3=C(C=C2)OCO3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NCC1=CC=C(S1)S(=O)(=O)N(C)CC2=CC3=C(C=C2)OCO3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 122 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.06571403 25 0 0 0 0 0 0 0 1 -1