C281H376Cl4F3N33O39S14 — CID 158633161
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;bis(N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide);N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(cyclopentylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(cyclopentylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylbutan-2-ylsulfonylamino)pentanamide;N-(4-butylphenyl)-N-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylpropylsulfonylamino)pentanamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(trichloromethylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide (PubChem CID 158633161) has the molecular formula C281H376Cl4F3N33O39S14 and a molecular weight of 5488.04 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;bis(N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide);N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(cyclopentylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(cyclopentylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylbutan-2-ylsulfonylamino)pentanamide;N-(4-butylphenyl)-N-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylpropylsulfonylamino)pentanamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(trichloromethylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide.
| Compound Name | N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;bis(N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide);N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(cyclopentylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(cyclopentylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylbutan-2-ylsulfonylamino)pentanamide;N-(4-butylphenyl)-N-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylpropylsulfonylamino)pentanamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(trichloromethylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide |
|---|---|
| PubChem CID | 158633161 |
| Molecular Formula | C281H376Cl4F3N33O39S14 |
| Molecular Weight | 5488.04 g/mol |
| Exact Mass | 5481.32 |
| IUPAC Name | N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;bis(N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide);N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(cyclopentylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(cyclopentylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylbutan-2-ylsulfonylamino)pentanamide;N-(4-butylphenyl)-N-methyl-4-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-5-(2-methylpropylsulfonylamino)pentanamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-(trichloromethylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide |
| SMILES | CCCCc1ccc(N(C)C(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1.CCCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)CC)cc1.CCCCc1ccc(NC(=O)CCCCNS(=O)(=O)CC(C)C)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cn2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)nc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C3CCCC3)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(C)(C)C)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C(Cl)(Cl)Cl)cc2)cc1.CCCCc1ccc(NC(=O)c2ccc(NS(=O)C3CCCC3)cc2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)c(Cl)c2)cc1.CCCCc1ccc(NC(=O)c2cnc(NS(=O)(=O)C(C)C)nc2CCC)cc1 |
| InChI | InChI=1S/C22H28N2O3S.C22H28N2O2S.C21H30N4O3S.3C21H28N2O3S.C21H28N2O2S.C20H34N2O3S.C19H24ClN3O3S.2C19H25N3O3S.C19H32N2O3S.C18H19Cl3N2O2S.C18H19F3N2O3S/c1-2-3-6-17-9-13-19(14-10-17)23-22(25)18-11-15-20(16-12-18)24-28(26,27)21-7-4-5-8-21;1-2-3-6-17-9-13-19(14-10-17)23-22(25)18-11-15-20(16-12-18)24-27(26)21-7-4-5-8-21;1-5-7-9-16-10-12-17(13-11-16)23-20(26)18-14-22-21(24-19(18)8-6-2)25-29(27,28)15(3)4;1-5-6-7-17-8-14-20(15-9-17)23(4)21(24)18-10-12-19(13-11-18)22-27(25,26)16(2)3;2*1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-27(25,26)21(2,3)4;1-5-6-7-16-8-12-18(13-9-16)22-20(24)17-10-14-19(15-11-17)23-26(25)21(2,3)4;1-5-7-10-17-12-14-18(15-13-17)22-19(23)11-8-9-16-21-26(24,25)20(3,4)6-2;1-4-5-6-14-7-9-16(10-8-14)22-19(24)15-11-17(20)18(21-12-15)23-27(25,26)13(2)3;1-4-5-6-15-7-10-17(11-8-15)21-19(23)16-9-12-18(20-13-16)22-26(24,25)14(2)3;1-4-5-6-15-7-9-16(10-8-15)21-19(23)18-12-11-17(13-20-18)22-26(24,25)14(2)3;1-4-5-8-17-10-12-18(13-11-17)21-19(22)9-6-7-14-20-25(23,24)15-16(2)3;1-2-3-4-13-5-9-15(10-6-13)22-17(24)14-7-11-16(12-8-14)23-26(25)18(19,20)21;1-2-3-4-13-5-9-15(10-6-13)22-17(24)14-7-11-16(12-8-14)23-27(25,26)18(19,20)21/h9-16,21,24H,2-8H2,1H3,(H,23,25);9-16,21,24H,2-8H2,1H3,(H,23,25);10-15H,5-9H2,1-4H3,(H,23,26)(H,22,24,25);8-16,22H,5-7H2,1-4H3;2*8-15,23H,5-7H2,1-4H3,(H,22,24);8-15,23H,5-7H2,1-4H3,(H,22,24);12-15,21H,5-11,16H2,1-4H3,(H,22,23);7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24);7-14H,4-6H2,1-3H3,(H,20,22)(H,21,23);7-14,22H,4-6H2,1-3H3,(H,21,23);10-13,16,20H,4-9,14-15H2,1-3H3,(H,21,22);5-12,23H,2-4H2,1H3,(H,22,24);5-12,23H,2-4H2,1H3,(H,22,24) |
| InChIKey | HZLDHUJZPBAFLZ-UHFFFAOYSA-N |
| XLogP | 64.01 |
| TPSA | 1058.23 Ų |
| H-Bond Donors | 27 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 117 |
| Heavy Atoms | 374 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5488.04 |
| LogP ≤ 5 | 64.01 |
| H-Bond Donors ≤ 5 | 27 |
| H-Bond Acceptors ≤ 10 | 44 |