C240H326Cl3F2N39O45S10 — CID 159132602
N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-2-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-phenylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[1,3-dioxo-2-(4-propan-2-ylphenyl)isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 159132602) has the molecular formula C240H326Cl3F2N39O45S10 and a molecular weight of 4942.50 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-2-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-phenylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[1,3-dioxo-2-(4-propan-2-ylphenyl)isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.
| Compound Name | N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-2-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-phenylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[1,3-dioxo-2-(4-propan-2-ylphenyl)isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 159132602 |
| Molecular Formula | C240H326Cl3F2N39O45S10 |
| Molecular Weight | 4942.50 g/mol |
| Exact Mass | 4937.07 |
| IUPAC Name | N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-2-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-3-methyl-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-phenylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[1,3-dioxo-2-(4-propan-2-ylphenyl)isoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide |
| SMILES | CC(C)N1C(=O)c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2C1=O.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1.CC(C)c1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc2ccc(=O)oc12.CC(C)c1ccc(N2C(=O)c3ccc(NC(=O)N4CCC(NS(=O)(=O)C(C)C)CC4)cc3C2=O)cc1.CC1CC(NS(=O)(=O)C(C)C)CCN1C(=O)Nc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.CC1CN(C(=O)Nc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CCC1NS(=O)(=O)C(C)C.CCc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1F.Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1F.Cc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1N1CCC(O)(c2ccc(Cl)cc2)CC1.Cc1ccc(N2C(=O)c3ccc(NC(=O)N4CCC(NS(=O)(=O)C(C)C)CC4)cc3C2=O)cc1 |
| InChI | InChI=1S/3C27H37ClN4O4S.C26H32N4O5S.C24H28N4O5S.C23H37FN4O4S.C23H26N4O5S.C22H35FN4O4S.C21H29N3O5S.C20H28N4O5S/c1-19(2)37(35,36)30-24-12-15-32(20(3)18-24)26(33)29-23-8-10-25(11-9-23)31-16-13-27(34,14-17-31)21-4-6-22(28)7-5-21;1-19(2)37(35,36)30-25-12-15-32(18-20(25)3)26(33)29-23-8-10-24(11-9-23)31-16-13-27(34,14-17-31)21-4-6-22(28)7-5-21;1-19(2)37(35,36)30-23-10-14-32(15-11-23)26(33)29-24-8-9-25(20(3)18-24)31-16-12-27(34,13-17-31)21-4-6-22(28)7-5-21;1-16(2)18-5-8-21(9-6-18)30-24(31)22-10-7-20(15-23(22)25(30)32)27-26(33)29-13-11-19(12-14-29)28-36(34,35)17(3)4;1-15(2)34(32,33)26-17-10-12-27(13-11-17)24(31)25-18-6-9-20-21(14-18)23(30)28(22(20)29)19-7-4-16(3)5-8-19;1-6-19-21(28-13-16(4)32-17(5)14-28)8-7-20(22(19)24)25-23(29)27-11-9-18(10-12-27)26-33(30,31)15(2)3;1-15(2)33(31,32)25-16-10-12-26(13-11-16)23(30)24-17-8-9-19-20(14-17)22(29)27(21(19)28)18-6-4-3-5-7-18;1-14(2)32(29,30)25-18-8-10-26(11-9-18)22(28)24-19-6-7-20(17(5)21(19)23)27-12-15(3)31-16(4)13-27;1-13(2)18-12-17(11-15-5-6-19(25)29-20(15)18)22-21(26)24-9-7-16(8-10-24)23-30(27,28)14(3)4;1-12(2)24-18(25)16-6-5-15(11-17(16)19(24)26)21-20(27)23-9-7-14(8-10-23)22-30(28,29)13(3)4/h4-11,19-20,24,30,34H,12-18H2,1-3H3,(H,29,33);4-11,19-20,25,30,34H,12-18H2,1-3H3,(H,29,33);4-9,18-19,23,30,34H,10-17H2,1-3H3,(H,29,33);5-10,15-17,19,28H,11-14H2,1-4H3,(H,27,33);4-9,14-15,17,26H,10-13H2,1-3H3,(H,25,31);7-8,15-18,26H,6,9-14H2,1-5H3,(H,25,29);3-9,14-16,25H,10-13H2,1-2H3,(H,24,30);6-7,14-16,18,25H,8-13H2,1-5H3,(H,24,28);5-6,11-14,16,23H,7-10H2,1-4H3,(H,22,26);5-6,11-14,22H,7-10H2,1-4H3,(H,21,27)/t;;;;;16-,17+;;15-,16+;; |
| InChIKey | KHBZCVPMZZQKCX-UEENEBGESA-N |
| XLogP | 34.92 |
| TPSA | 1060.18 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 339 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4942.50 |
| LogP ≤ 5 | 34.92 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 50 |