C154H190F9N27O26S13 — CID 162202163
4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[(1R)-1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-1-fluoroethyl]-N-(2-methyl-4-pyridinyl)piperidine-1-carboxamide;4-[2-(3,5-difluorophenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2-methoxyphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide (PubChem CID 162202163) has the molecular formula C154H190F9N27O26S13 and a molecular weight of 3423.23 g/mol. Its IUPAC name is 4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[(1R)-1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-1-fluoroethyl]-N-(2-methyl-4-pyridinyl)piperidine-1-carboxamide;4-[2-(3,5-difluorophenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2-methoxyphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide.
| Compound Name | 4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[(1R)-1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-1-fluoroethyl]-N-(2-methyl-4-pyridinyl)piperidine-1-carboxamide;4-[2-(3,5-difluorophenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2-methoxyphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 162202163 |
| Molecular Formula | C154H190F9N27O26S13 |
| Molecular Weight | 3423.23 g/mol |
| Exact Mass | 3420.06 |
| IUPAC Name | 4-[1-[4-(1,1-difluoroethoxy)phenyl]sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[(1R)-1-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfonyl-1-fluoroethyl]-N-(2-methyl-4-pyridinyl)piperidine-1-carboxamide;4-[2-(3,5-difluorophenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[1-(3-fluorophenyl)sulfonylcyclopropyl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2-methoxyphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2-methylphenyl)sulfonylpropan-2-yl]-N-(1,2-thiazol-5-yl)piperidine-1-carboxamide |
| SMILES | CC(C)(C1CCN(C(=O)Nc2ccns2)CC1)S(=O)(=O)c1cc(F)cc(F)c1.CC(C)(C1CCN(C(=O)Nc2cnns2)CC1)S(=O)(=O)c1cccc(F)c1.CC(F)(F)Oc1ccc(S(=O)(=O)C2(C3CCN(C(=O)Nc4ccns4)CC3)CC2)cc1.COc1ccccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccncc2)CC1.Cc1cc(NC(=O)N2CCC([C@](C)(F)S(=O)(=O)c3cc(C(C)(F)F)nn3C)CC2)ccn1.Cc1ccccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccncc2)CC1.Cc1ccccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccns2)CC1.O=C(Nc1ccns1)N1CCC(C2(S(=O)(=O)c3cccc(F)c3)CC2)CC1 |
| InChI | InChI=1S/C21H27N3O4S.C21H27N3O3S.C20H26F3N5O3S.C20H23F2N3O4S2.C19H25N3O3S2.C18H21F2N3O3S2.C18H20FN3O3S2.C17H21FN4O3S2/c1-21(2,29(26,27)19-7-5-4-6-18(19)28-3)16-10-14-24(15-11-16)20(25)23-17-8-12-22-13-9-17;1-16-6-4-5-7-19(16)28(26,27)21(2,3)17-10-14-24(15-11-17)20(25)23-18-8-12-22-13-9-18;1-13-11-15(5-8-24-13)25-18(29)28-9-6-14(7-10-28)20(3,23)32(30,31)17-12-16(19(2,21)22)26-27(17)4;1-19(21,22)29-15-2-4-16(5-3-15)31(27,28)20(9-10-20)14-7-12-25(13-8-14)18(26)24-17-6-11-23-30-17;1-14-6-4-5-7-16(14)27(24,25)19(2,3)15-9-12-22(13-10-15)18(23)21-17-8-11-20-26-17;1-18(2,28(25,26)15-10-13(19)9-14(20)11-15)12-4-7-23(8-5-12)17(24)22-16-3-6-21-27-16;19-14-2-1-3-15(12-14)27(24,25)18(7-8-18)13-5-10-22(11-6-13)17(23)21-16-4-9-20-26-16;1-17(2,27(24,25)14-5-3-4-13(18)10-14)12-6-8-22(9-7-12)16(23)20-15-11-19-21-26-15/h4-9,12-13,16H,10-11,14-15H2,1-3H3,(H,22,23,25);4-9,12-13,17H,10-11,14-15H2,1-3H3,(H,22,23,25);5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,24,25,29);2-6,11,14H,7-10,12-13H2,1H3,(H,24,26);4-8,11,15H,9-10,12-13H2,1-3H3,(H,21,23);3,6,9-12H,4-5,7-8H2,1-2H3,(H,22,24);1-4,9,12-13H,5-8,10-11H2,(H,21,23);3-5,10-12H,6-9H2,1-2H3,(H,20,23)/t;;20-;;;;;/m..1...../s1 |
| InChIKey | ZRSOFYDLFJVORA-YHGOZYOXSA-N |
| XLogP | 30.07 |
| TPSA | 684.13 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3423.23 |
| LogP ≤ 5 | 30.07 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 42 |