C109H172ClF3N18O20S6 — CID 161182583
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 161182583) has the molecular formula C109H172ClF3N18O20S6 and a molecular weight of 2339.53 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
| Compound Name | N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 161182583 |
| Molecular Formula | C109H172ClF3N18O20S6 |
| Molecular Weight | 2339.53 g/mol |
| Exact Mass | 2337.10 |
| IUPAC Name | N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.CCC(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1 |
| InChI | InChI=1S/2C20H33N3O3S.C19H31N3O3S.C17H24F3N3O4S.C17H27N3O4S.C16H24ClN3O3S/c1-19(2,3)15-7-9-16(10-8-15)21-18(24)23-13-11-17(12-14-23)22-27(25,26)20(4,5)6;1-6-15(2)16-7-9-17(10-8-16)21-19(24)23-13-11-18(12-14-23)22-27(25,26)20(3,4)5;1-14(2)15-6-8-16(9-7-15)20-18(23)22-12-10-17(11-13-22)21-26(24,25)19(3,4)5;1-16(2,3)28(25,26)22-13-8-10-23(11-9-13)15(24)21-12-4-6-14(7-5-12)27-17(18,19)20;1-17(2,3)25(22,23)19-14-9-11-20(12-10-14)16(21)18-13-5-7-15(24-4)8-6-13;1-16(2,3)24(22,23)19-14-8-10-20(11-9-14)15(21)18-13-6-4-12(17)5-7-13/h7-10,17,22H,11-14H2,1-6H3,(H,21,24);7-10,15,18,22H,6,11-14H2,1-5H3,(H,21,24);6-9,14,17,21H,10-13H2,1-5H3,(H,20,23);4-7,13,22H,8-11H2,1-3H3,(H,21,24);5-8,14,19H,9-12H2,1-4H3,(H,18,21);4-7,14,19H,8-11H2,1-3H3,(H,18,21) |
| InChIKey | USQXOCKFNXONOC-UHFFFAOYSA-N |
| XLogP | 19.90 |
| TPSA | 489.52 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2339.53 |
| LogP ≤ 5 | 19.90 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |