C107H159F3N22O25S8 — CID 157372917
N-[3-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(furan-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1,2-oxazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 157372917) has the molecular formula C107H159F3N22O25S8 and a molecular weight of 2467.11 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(furan-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1,2-oxazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.
| Compound Name | N-[3-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(furan-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1,2-oxazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 157372917 |
| Molecular Formula | C107H159F3N22O25S8 |
| Molecular Weight | 2467.11 g/mol |
| Exact Mass | 2464.96 |
| IUPAC Name | N-[3-(cyclopropylmethoxy)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(furan-2-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(1,2-oxazol-5-yl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[3-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide |
| SMILES | CC(C)NS(=O)(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ccco3)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3ccno3)cc2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1.CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(OCC3CC3)c2)CC1 |
| InChI | InChI=1S/C19H25N3O4S.C19H29N3O4S.2C18H30N4O5S2.C18H24N4O4S.C15H21F3N4O3S/c1-14(2)27(24,25)21-17-9-11-22(12-10-17)19(23)20-16-7-5-15(6-8-16)18-4-3-13-26-18;1-14(2)27(24,25)21-16-8-10-22(11-9-16)19(23)20-17-4-3-5-18(12-17)26-13-15-6-7-15;1-13(2)20-29(26,27)17-7-5-15(6-8-17)19-18(23)22-11-9-16(10-12-22)21-28(24,25)14(3)4;1-13(2)20-29(26,27)17-7-5-6-16(12-17)19-18(23)22-10-8-15(9-11-22)21-28(24,25)14(3)4;1-13(2)27(24,25)21-16-8-11-22(12-9-16)18(23)20-15-5-3-14(4-6-15)17-7-10-19-26-17;1-10(2)26(24,25)21-12-5-7-22(8-6-12)14(23)20-13-4-3-11(9-19-13)15(16,17)18/h3-8,13-14,17,21H,9-12H2,1-2H3,(H,20,23);3-5,12,14-16,21H,6-11,13H2,1-2H3,(H,20,23);5-8,13-14,16,20-21H,9-12H2,1-4H3,(H,19,23);5-7,12-15,20-21H,8-11H2,1-4H3,(H,19,23);3-7,10,13,16,21H,8-9,11-12H2,1-2H3,(H,20,23);3-4,9-10,12,21H,5-8H2,1-2H3,(H,19,20,23) |
| InChIKey | BJZBENTWBFVOCF-UHFFFAOYSA-N |
| XLogP | 14.56 |
| TPSA | 624.69 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2467.11 |
| LogP ≤ 5 | 14.56 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 27 |