C98H144F9N19O21S6 — CID 159061760
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 159061760) has the molecular formula C98H144F9N19O21S6 and a molecular weight of 2287.73 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide.
| Compound Name | N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159061760 |
| Molecular Formula | C98H144F9N19O21S6 |
| Molecular Weight | 2287.73 g/mol |
| Exact Mass | 2285.90 |
| IUPAC Name | N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide |
| SMILES | CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2c(F)cc(F)cc2F)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(F)c2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1.COc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1 |
| InChI | InChI=1S/C21H33FN4O4S.C16H22F3N3O4S.C16H25N3O4S.C15H20F3N3O3S.2C15H22FN3O3S/c1-14(2)31(28,29)24-17-7-9-25(10-8-17)21(27)23-18-5-6-20(19(22)11-18)26-12-15(3)30-16(4)13-26;1-11(2)27(24,25)21-13-7-9-22(10-8-13)15(23)20-12-3-5-14(6-4-12)26-16(17,18)19;1-12(2)24(21,22)18-14-8-10-19(11-9-14)16(20)17-13-4-6-15(23-3)7-5-13;1-9(2)25(23,24)20-11-3-5-21(6-4-11)15(22)19-14-12(17)7-10(16)8-13(14)18;1-11(2)23(21,22)18-13-6-8-19(9-7-13)15(20)17-14-5-3-4-12(16)10-14;1-11(2)23(21,22)18-12-7-9-19(10-8-12)15(20)17-14-6-4-3-5-13(14)16/h5-6,11,14-17,24H,7-10,12-13H2,1-4H3,(H,23,27);3-6,11,13,21H,7-10H2,1-2H3,(H,20,23);4-7,12,14,18H,8-11H2,1-3H3,(H,17,20);7-9,11,20H,3-6H2,1-2H3,(H,19,22);3-5,10-11,13,18H,6-9H2,1-2H3,(H,17,20);3-6,11-12,18H,7-10H2,1-2H3,(H,17,20)/t15-,16+;;;;; |
| InChIKey | JYOFCBQYZIXAOF-OKZBWPRMSA-N |
| XLogP | 14.42 |
| TPSA | 501.99 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2287.73 |
| LogP ≤ 5 | 14.42 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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