1317857 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 16 8 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 1 1 1 1 4 4 5 5 6 6 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 15 15 16 16 17 18 19 19 19 20 20 21 23 23 24 25 25 26 27 27 27 28 28 28 2 3 8 11 16 19 21 27 24 28 22 10 30 20 22 43 12 13 29 14 15 31 32 33 34 35 36 17 37 18 38 17 18 39 40 22 41 42 21 23 25 24 44 26 26 45 46 47 48 49 50 51 52 2 2 1 1 1 1 1 1 1 1 2 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 2 1 1 2 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 46 47 48 49 50 51 52 6.3301 7.3301 5.3301 6.3301 2.866 6.3301 6.3301 6.3301 4.5981 7.1962 6.3301 7.1962 8.0622 5.4641 7.1962 6.3301 5.4641 7.1962 5.4641 4.5981 3.732 5.4641 5.4641 5.4641 3.732 4.5981 2 6.3301 6.6592 5.7932 7.8162 7.1962 6.5762 7.7522 8.5991 8.3722 4.9272 7.7331 4.9272 7.7331 5.252 4.8535 4.0611 6.001 3.1951 4.5981 1.69 1.4631 2.31 5.7101 6.3301 6.9501 3.75 3.75 3.75 -0.25 -3.25 -5.25 -2.25 4.75 -2.25 5.25 2.75 6.25 4.75 2.25 2.25 0.75 1.25 1.25 -0.75 -3.25 -3.75 -1.75 -3.75 -4.75 -4.75 -5.25 -3.75 -6.25 5.56 5.06 6.25 6.87 6.25 4.2131 4.44 5.2869 2.56 2.56 0.94 0.94 -0.1674 -0.8577 -1.94 -3.44 -5.06 -5.87 -3.2131 -4.06 -4.2869 -6.25 -6.87 -6.25 8 8 8 8 8 8 8 8 8 8 8 8 11 11 14 15 16 16 20 20 21 23 24 25 14 15 17 18 17 18 21 23 25 24 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 584 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371E07B3800400000000000000000000000000000000000306000000000000000014000001E0410400000082CE1D00632C782C00402880025525072C20810212200088898476C880E2622C4B19F873828E6D419D8E807D050030001800002000010000300000400002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxyphenyl)-2-[4-(isopropylsulfamoyl)phenoxy]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2,5-dimethoxyphenyl)-2-[4-(isopropylsulfamoyl)phenoxy]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H24N2O6S/c1-13(2)21-28(23,24)16-8-5-14(6-9-16)27-12-19(22)20-17-11-15(25-3)7-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MROSXKHQWNCKOZ-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 2021.10.14 408.13550766 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H24N2O6S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C)NS(=O)(=O)C1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 111 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.13550766 28 0 0 0 0 0 0 0 1 -1