C144H221F14N17O28S8 — CID 160574695
N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 160574695) has the molecular formula C144H221F14N17O28S8 and a molecular weight of 3160.95 g/mol. Its IUPAC name is N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide.
| Compound Name | N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide |
|---|---|
| PubChem CID | 160574695 |
| Molecular Formula | C144H221F14N17O28S8 |
| Molecular Weight | 3160.95 g/mol |
| Exact Mass | 3158.39 |
| IUPAC Name | N-[4-(2,3-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-fluoro-3-(trifluoromethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide |
| SMILES | CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)c(OC(F)(F)F)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(CNS(=O)(=O)C(C)C)C(C)C(C)C(=O)Nc1ccc(C(F)(F)F)cc1.CC1CC(C)CC(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2)C1.CC1CC(Oc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2)C1C.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1C |
| InChI | InChI=1S/2C22H36N2O3S.C21H34N2O5S.C18H27F3N2O3S.C16H24F3N3O3S.C16H23F3N2O4S.C15H20F4N2O4S.C14H21FN2O3S/c1-16(2)28(26,27)23-15-6-5-10-22(25)24-20-13-11-19(12-14-20)21-9-7-8-17(3)18(21)4;1-16(2)28(26,27)23-12-6-5-7-22(25)24-21-10-8-19(9-11-21)20-14-17(3)13-18(4)15-20;1-15(2)29(25,26)22-12-6-5-7-21(24)23-18-8-10-19(11-9-18)28-20-13-16(3)27-17(4)14-20;1-11(2)27(25,26)22-10-12(3)13(4)14(5)17(24)23-16-8-6-15(7-9-16)18(19,20)21;1-10(2)26(24,25)21-8-6-5-7-14(23)22-15-12(4)11(3)13(9-20-15)16(17,18)19;1-11(2)26(23,24)20-9-5-4-6-15(22)21-12-7-8-13(16(17,18)19)14(10-12)25-3;1-10(2)26(23,24)20-8-4-3-5-14(22)21-11-6-7-12(16)13(9-11)25-15(17,18)19;1-11(2)21(19,20)16-10-4-3-5-14(18)17-13-8-6-12(15)7-9-13/h11-14,16-18,21,23H,5-10,15H2,1-4H3,(H,24,25);8-11,16-18,20,23H,5-7,12-15H2,1-4H3,(H,24,25);8-11,15-17,20,22H,5-7,12-14H2,1-4H3,(H,23,24);6-9,11-14,22H,10H2,1-5H3,(H,23,24);9-10,21H,5-8H2,1-4H3,(H,20,22,23);7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,22);6-7,9-10,20H,3-5,8H2,1-2H3,(H,21,22);6-9,11,16H,3-5,10H2,1-2H3,(H,17,18) |
| InChIKey | RAZNTZWLFFCIQL-UHFFFAOYSA-N |
| XLogP | 28.39 |
| TPSA | 651.97 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 70 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3160.95 |
| LogP ≤ 5 | 28.39 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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