C221H262ClF9N26O40S12 — CID 159547044
N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide (PubChem CID 159547044) has the molecular formula C221H262ClF9N26O40S12 and a molecular weight of 4513.91 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide.
| Compound Name | N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide |
|---|---|
| PubChem CID | 159547044 |
| Molecular Formula | C221H262ClF9N26O40S12 |
| Molecular Weight | 4513.91 g/mol |
| Exact Mass | 4509.55 |
| IUPAC Name | N-(4-butan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-chlorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)benzamide;N-(4-propan-2-ylphenyl)-4-(propan-2-ylsulfonylamino)benzamide;4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)benzamide |
| SMILES | CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2c(F)cc(F)cc2F)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2cccc(F)c2)cc1.CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2F)cc1.CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1.CCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1.CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1.Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1N1C[C@@H](C)O[C@@H](C)C1 |
| InChI | InChI=1S/C23H31N3O4S.C22H28FN3O4S.2C20H26N2O3S.2C19H24N2O3S.C17H17F3N2O4S.C17H20N2O4S.C16H17ClN2O3S.C16H15F3N2O3S.2C16H17FN2O3S/c1-15(2)31(28,29)25-20-8-6-19(7-9-20)23(27)24-21-10-11-22(16(3)12-21)26-13-17(4)30-18(5)14-26;1-14(2)31(28,29)25-18-7-5-17(6-8-18)22(27)24-19-9-10-21(20(23)11-19)26-12-15(3)30-16(4)13-26;1-14(2)26(24,25)22-18-10-6-15(7-11-18)19(23)21-17-12-8-16(9-13-17)20(3,4)5;1-5-15(4)16-6-10-18(11-7-16)21-20(23)17-8-12-19(13-9-17)22-26(24,25)14(2)3;1-13(2)15-5-9-17(10-6-15)20-19(22)16-7-11-18(12-8-16)21-25(23,24)14(3)4;1-4-5-15-6-10-17(11-7-15)20-19(22)16-8-12-18(13-9-16)21-25(23,24)14(2)3;1-11(2)27(24,25)22-14-5-3-12(4-6-14)16(23)21-13-7-9-15(10-8-13)26-17(18,19)20;1-12(2)24(21,22)19-15-6-4-13(5-7-15)17(20)18-14-8-10-16(23-3)11-9-14;1-11(2)23(21,22)19-15-7-3-12(4-8-15)16(20)18-14-9-5-13(17)6-10-14;1-9(2)25(23,24)21-12-5-3-10(4-6-12)16(22)20-15-13(18)7-11(17)8-14(15)19;1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15;1-11(2)23(21,22)19-13-9-7-12(8-10-13)16(20)18-15-6-4-3-5-14(15)17/h6-12,15,17-18,25H,13-14H2,1-5H3,(H,24,27);5-11,14-16,25H,12-13H2,1-4H3,(H,24,27);6-14,22H,1-5H3,(H,21,23);6-15,22H,5H2,1-4H3,(H,21,23);5-14,21H,1-4H3,(H,20,22);6-14,21H,4-5H2,1-3H3,(H,20,22);3-11,22H,1-2H3,(H,21,23);4-12,19H,1-3H3,(H,18,20);3-11,19H,1-2H3,(H,18,20);3-9,21H,1-2H3,(H,20,22);2*3-11,19H,1-2H3,(H,18,20)/t17-,18+;15-,16+;;;;;;;;;; |
| InChIKey | MEXVQNQRBIOARG-VANFRLPLSA-N |
| XLogP | 45.89 |
| TPSA | 946.64 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 309 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4513.91 |
| LogP ≤ 5 | 45.89 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 42 |