56111415 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 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 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 2 2 2 2 3 4 4 5 5 8 8 8 9 9 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 18 18 19 19 20 21 21 23 23 23 24 25 25 26 26 27 28 24 27 6 7 9 27 17 20 25 22 25 17 23 41 49 50 11 12 16 17 13 29 30 14 31 32 15 33 34 15 35 36 37 38 18 19 20 39 21 40 22 22 42 24 43 44 26 45 46 28 47 28 48 1 1 2 2 1 1 2 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 1 1 1 2 1 2 1 1 1 1 1 2 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 5.1945 3.4128 8.8683 12.7134 12.7134 2.9744 3.8512 7.5415 2.514 9.1691 9.6691 8.1691 9.1691 7.6691 8.1691 10.0351 8.5264 10.9011 10.0351 11.7671 10.9011 11.7671 6.8987 5.9139 13.297 5.4755 4.3116 4.4852 10.144 10.144 7.5864 8.2767 9.7517 9.0614 7.1941 7.1941 8.2767 7.5864 10.9011 9.4982 7.3294 10.9011 6.6867 7.4356 13.7578 13.7578 5.7666 4.0545 2 2.4708 -1.2929 -1.2618 -1.1191 0.3913 -1.2181 -0.363 -2.1606 -0.0058 -1.7002 0.5866 1.4526 0.5866 2.3186 1.4526 2.3186 0.0866 -0.1795 0.5866 -0.9134 0.0866 -1.4134 -0.9134 -0.7719 -0.5982 -0.4134 0.3006 -0.8234 0.1614 1.0541 1.8512 0.3745 -0.024 2.5307 2.9292 1.8512 1.0541 2.9292 2.5307 1.2066 -1.2234 0.5768 -2.0334 -1.3545 -1.0819 -0.8281 0.0013 0.848 0.6074 -1.3534 -2.3186 8 8 8 8 8 8 8 8 8 8 8 1 1 16 16 18 19 20 21 24 26 27 24 27 18 19 20 21 22 22 26 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 674 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380060000000000000000000000000012240000030600000000000004801C000001E04104000000E04C1D807300F82C0040A8C0221521070C309902028104888990E8C881D2632A4B51BA4302A64C611AEA80798DCF2CFA0000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-N-[(5-sulfamoyl-2-thienyl)methyl]cyclohexanecarboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-N-[(5-sulfamoyl-2-thiophenyl)methyl]-1-cyclohexanecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-<I>N</I>-[(5-sulfamoylthiophen-2-yl)methyl]cyclohexane-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclohexane-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]cyclohexane-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-(1,3-benzodioxol-5-yl)-N-[(5-sulfamoyl-2-thienyl)methyl]cyclohexanecarboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H22N2O5S2/c20-28(23,24)17-7-5-14(27-17)11-21-18(22)19(8-2-1-3-9-19)13-4-6-15-16(10-13)26-12-25-15/h4-7,10H,1-3,8-9,11-12H2,(H,21,22)(H2,20,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NBJMGMGZBCOHJR-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 2021.05.07 422.09701415 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H22N2O5S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 422.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)(C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(S4)S(=O)(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CCC(CC1)(C2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=C(S4)S(=O)(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 144 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 422.09701415 28 0 0 0 0 0 0 0 1 -1