C135H168ClF3N14O23S7 — CID 159621475
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 159621475) has the molecular formula C135H168ClF3N14O23S7 and a molecular weight of 2671.82 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide.
| Compound Name | N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide |
|---|---|
| PubChem CID | 159621475 |
| Molecular Formula | C135H168ClF3N14O23S7 |
| Molecular Weight | 2671.82 g/mol |
| Exact Mass | 2669.01 |
| IUPAC Name | N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-(4-propylphenyl)benzamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]benzamide |
| SMILES | CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.COc1ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1 |
| InChI | InChI=1S/2C21H28N2O3S.2C20H26N2O3S.C18H19F3N2O4S.C18H22N2O4S.C17H19ClN2O3S/c1-20(2,3)16-9-13-17(14-10-16)22-19(24)15-7-11-18(12-8-15)23-27(25,26)21(4,5)6;1-6-15(2)16-7-11-18(12-8-16)22-20(24)17-9-13-19(14-10-17)23-27(25,26)21(3,4)5;1-14(2)15-6-10-17(11-7-15)21-19(23)16-8-12-18(13-9-16)22-26(24,25)20(3,4)5;1-5-6-15-7-11-17(12-8-15)21-19(23)16-9-13-18(14-10-16)22-26(24,25)20(2,3)4;1-17(2,3)28(25,26)23-14-6-4-12(5-7-14)16(24)22-13-8-10-15(11-9-13)27-18(19,20)21;1-18(2,3)25(22,23)20-15-7-5-13(6-8-15)17(21)19-14-9-11-16(24-4)12-10-14;1-17(2,3)24(22,23)20-15-8-4-12(5-9-15)16(21)19-14-10-6-13(18)7-11-14/h7-14,23H,1-6H3,(H,22,24);7-15,23H,6H2,1-5H3,(H,22,24);6-14,22H,1-5H3,(H,21,23);7-14,22H,5-6H2,1-4H3,(H,21,23);4-11,23H,1-3H3,(H,22,24);5-12,20H,1-4H3,(H,19,21);4-11,20H,1-3H3,(H,19,21) |
| InChIKey | MNYDDCLCADIPBT-UHFFFAOYSA-N |
| XLogP | 30.80 |
| TPSA | 545.35 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2671.82 |
| LogP ≤ 5 | 30.80 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 23 |