C115H132F13N13O19S6 — CID 157141990
N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]benzamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(4-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide (PubChem CID 157141990) has the molecular formula C115H132F13N13O19S6 and a molecular weight of 2439.77 g/mol. Its IUPAC name is N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]benzamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(4-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide.
| Compound Name | N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]benzamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(4-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide |
|---|---|
| PubChem CID | 157141990 |
| Molecular Formula | C115H132F13N13O19S6 |
| Molecular Weight | 2439.77 g/mol |
| Exact Mass | 2437.79 |
| IUPAC Name | N-[4-(3,5-dimethylcyclohexyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;2,5-dimethyl-4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]benzamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethoxy-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-4-(propan-2-ylsulfonylamino)benzamide;N-(4-fluorophenyl)-4-(propan-2-ylsulfonylamino)benzamide |
| SMILES | CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1.CC1CC(C)CC(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)C1.CCOc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.CCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)c1C.Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)cc1NS(=O)(=O)C(C)C |
| InChI | InChI=1S/C24H32N2O3S.C19H21F3N2O4S.2C19H21F3N2O3S.C18H20F3N3O3S.C16H17FN2O3S/c1-16(2)30(28,29)26-23-11-7-20(8-12-23)24(27)25-22-9-5-19(6-10-22)21-14-17(3)13-18(4)15-21;1-4-28-17-11-15(9-10-16(17)19(20,21)22)23-18(25)13-5-7-14(8-6-13)24-29(26,27)12(2)3;1-11(2)28(26,27)24-17-10-12(3)16(9-13(17)4)18(25)23-15-7-5-14(6-8-15)19(20,21)22;1-4-13-11-16(9-10-17(13)19(20,21)22)23-18(25)14-5-7-15(8-6-14)24-28(26,27)12(2)3;1-10(2)28(26,27)24-14-7-5-13(6-8-14)17(25)23-16-12(4)11(3)15(9-22-16)18(19,20)21;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/h5-12,16-18,21,26H,13-15H2,1-4H3,(H,25,27);5-12,24H,4H2,1-3H3,(H,23,25);5-11,24H,1-4H3,(H,23,25);5-12,24H,4H2,1-3H3,(H,23,25);5-10,24H,1-4H3,(H,22,23,25);3-11,19H,1-2H3,(H,18,20) |
| InChIKey | AKHGVPQIYCLVAS-UHFFFAOYSA-N |
| XLogP | 26.88 |
| TPSA | 473.74 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2439.77 |
| LogP ≤ 5 | 26.88 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |