C149H219F11N22O27S7 — CID 158451643
4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethoxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 158451643) has the molecular formula C149H219F11N22O27S7 and a molecular weight of 3183.96 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethoxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
| Compound Name | 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethoxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158451643 |
| Molecular Formula | C149H219F11N22O27S7 |
| Molecular Weight | 3183.96 g/mol |
| Exact Mass | 3181.43 |
| IUPAC Name | 4-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[3-ethoxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(OC(F)(F)F)c2)CC1.CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CC1CC(C)CC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1.CC1CC(Oc2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C1C.CCOc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)ccc1F |
| InChI | InChI=1S/C25H27F3N4O5S.2C24H39N3O3S.C23H37N3O5S.C19H28F3N3O4S.C17H23F4N3O4S.C17H26FN3O3S/c1-24(2,3)38(36,37)30-16-10-12-31(13-11-16)23(35)29-17-6-9-19-20(14-17)22(34)32(21(19)33)18-7-4-15(5-8-18)25(26,27)28;1-17-14-18(2)16-20(15-17)19-6-8-21(9-7-19)25-23(28)27-12-10-22(11-13-27)26-31(29,30)24(3,4)5;1-17-7-6-8-22(18(17)2)19-9-11-20(12-10-19)25-23(28)27-15-13-21(14-16-27)26-31(29,30)24(3,4)5;1-16-14-21(15-17(2)30-16)31-20-8-6-18(7-9-20)24-22(27)26-12-10-19(11-13-26)25-32(28,29)23(3,4)5;1-5-29-16-12-14(6-7-15(16)19(20,21)22)23-17(26)25-10-8-13(9-11-25)24-30(27,28)18(2,3)4;1-16(2,3)29(26,27)23-11-6-8-24(9-7-11)15(25)22-12-4-5-13(18)14(10-12)28-17(19,20)21;1-12-11-14(5-6-15(12)18)19-16(22)21-9-7-13(8-10-21)20-25(23,24)17(2,3)4/h4-9,14,16,30H,10-13H2,1-3H3,(H,29,35);6-9,17-18,20,22,26H,10-16H2,1-5H3,(H,25,28);9-12,17-18,21-22,26H,6-8,13-16H2,1-5H3,(H,25,28);6-9,16-17,19,21,25H,10-15H2,1-5H3,(H,24,27);6-7,12-13,24H,5,8-11H2,1-4H3,(H,23,26);4-5,10-11,23H,6-9H2,1-3H3,(H,22,25);5-6,11,13,20H,7-10H2,1-4H3,(H,19,22) |
| InChIKey | HEBLQQCAPZJIAI-UHFFFAOYSA-N |
| XLogP | 27.94 |
| TPSA | 623.87 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3183.96 |
| LogP ≤ 5 | 27.94 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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