C163H199F10N17O26S8 — CID 158020299
4-[[4-(tert-butylsulfonylamino)benzoyl]amino]-3,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxy-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 158020299) has the molecular formula C163H199F10N17O26S8 and a molecular weight of 3258.99 g/mol. Its IUPAC name is 4-[[4-(tert-butylsulfonylamino)benzoyl]amino]-3,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxy-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]benzamide.
| Compound Name | 4-[[4-(tert-butylsulfonylamino)benzoyl]amino]-3,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxy-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]benzamide |
|---|---|
| PubChem CID | 158020299 |
| Molecular Formula | C163H199F10N17O26S8 |
| Molecular Weight | 3258.99 g/mol |
| Exact Mass | 3256.24 |
| IUPAC Name | 4-[[4-(tert-butylsulfonylamino)benzoyl]amino]-3,5-dimethyl-N-propan-2-ylbenzamide;4-(tert-butylsulfonylamino)-N-(1,2-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-(1,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide;4-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxy-2-methylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[3-methyl-4-(trifluoromethyl)phenyl]benzamide;4-(tert-butylsulfonylamino)-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]benzamide |
| SMILES | CC1Cc2cc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)ccc2C1C.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C)c1.Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc(C(F)(F)F)c1C.Cc1cc(C(=O)NC(C)C)cc(C)c1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(F)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2c1C(C)CC2.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1C(F)(F)F |
| InChI | InChI=1S/C23H31N3O4S.2C22H28N2O3S.2C20H23F3N2O3S.C19H21F3N2O3S.C19H24N2O4S.C18H21FN2O3S/c1-14(2)24-22(28)18-12-15(3)20(16(4)13-18)25-21(27)17-8-10-19(11-9-17)26-31(29,30)23(5,6)7;1-14-12-17-13-19(10-11-20(17)15(14)2)23-21(25)16-6-8-18(9-7-16)24-28(26,27)22(3,4)5;1-14-6-7-17-13-19(12-15(2)20(14)17)23-21(25)16-8-10-18(11-9-16)24-28(26,27)22(3,4)5;1-12-13(2)17(11-10-16(12)20(21,22)23)24-18(26)14-6-8-15(9-7-14)25-29(27,28)19(3,4)5;1-13-11-16(20(21,22)23)8-5-15(13)12-24-18(26)14-6-9-17(10-7-14)25-29(27,28)19(2,3)4;1-12-11-15(9-10-16(12)19(20,21)22)23-17(25)13-5-7-14(8-6-13)24-28(26,27)18(2,3)4;1-13-12-16(25-5)10-11-17(13)20-18(22)14-6-8-15(9-7-14)21-26(23,24)19(2,3)4;1-12-11-14(19)7-10-16(12)20-17(22)13-5-8-15(9-6-13)21-25(23,24)18(2,3)4/h8-14,26H,1-7H3,(H,24,28)(H,25,27);6-11,13-15,24H,12H2,1-5H3,(H,23,25);8-14,24H,6-7H2,1-5H3,(H,23,25);6-11,25H,1-5H3,(H,24,26);5-11,25H,12H2,1-4H3,(H,24,26);5-11,24H,1-4H3,(H,23,25);6-12,21H,1-5H3,(H,20,22);5-11,21H,1-4H3,(H,20,22) |
| InChIKey | FFZBXSMRECWJKT-UHFFFAOYSA-N |
| XLogP | 35.97 |
| TPSA | 640.49 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3258.99 |
| LogP ≤ 5 | 35.97 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 26 |