C136H200F3N15O26S8 — CID 160959805
N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(furan-2-yl)-2-methylphenyl]-4-methyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 160959805) has the molecular formula C136H200F3N15O26S8 and a molecular weight of 2774.70 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(furan-2-yl)-2-methylphenyl]-4-methyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
| Compound Name | N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(furan-2-yl)-2-methylphenyl]-4-methyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide |
|---|---|
| PubChem CID | 160959805 |
| Molecular Formula | C136H200F3N15O26S8 |
| Molecular Weight | 2774.70 g/mol |
| Exact Mass | 2772.25 |
| IUPAC Name | N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(furan-2-yl)-2-methylphenyl]-4-methyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide |
| SMILES | CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(-c2ccco2)c1.CC1CCC(Oc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2)C1C.CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1C(F)(F)F.CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)ccc1OC1CCCC1.Cc1cc(-c2ccco2)ccc1NC(=O)CCC(C)CNS(=O)(=O)C(C)C.Cc1cc(-c2ncco2)ccc1NC(=O)CCC(C)CNS(=O)(=O)C(C)C.Cc1csc(-c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(C)c2)c1 |
| InChI | InChI=1S/2C21H34N2O4S.C20H28N2O4S.C20H28N2O3S2.C19H27N3O4S.C18H24N2O4S.C17H25F3N2O3S/c1-15(2)28(25,26)22-14-6-5-7-21(24)23-18-9-11-19(12-10-18)27-20-13-8-16(3)17(20)4;1-4-17-15-18(12-13-20(17)27-19-9-5-6-10-19)23-21(24)11-7-8-14-22-28(25,26)16(2)3;1-14(2)27(24,25)21-13-15(3)7-10-20(23)22-18-9-8-17(12-16(18)4)19-6-5-11-26-19;1-14(2)27(24,25)21-10-6-5-7-20(23)22-18-9-8-17(12-16(18)4)19-11-15(3)13-26-19;1-13(2)27(24,25)21-12-14(3)5-8-18(23)22-17-7-6-16(11-15(17)4)19-20-9-10-26-19;1-14(2)25(22,23)19-11-4-3-10-18(21)20-16-8-5-7-15(13-16)17-9-6-12-24-17;1-4-13-11-14(8-9-15(13)17(18,19)20)22-16(23)7-5-6-10-21-26(24,25)12(2)3/h9-12,15-17,20,22H,5-8,13-14H2,1-4H3,(H,23,24);12-13,15-16,19,22H,4-11,14H2,1-3H3,(H,23,24);5-6,8-9,11-12,14-15,21H,7,10,13H2,1-4H3,(H,22,23);8-9,11-14,21H,5-7,10H2,1-4H3,(H,22,23);6-7,9-11,13-14,21H,5,8,12H2,1-4H3,(H,22,23);5-9,12-14,19H,3-4,10-11H2,1-2H3,(H,20,21);8-9,11-12,21H,4-7,10H2,1-3H3,(H,22,23) |
| InChIKey | SWWFIYFYNSDVKU-UHFFFAOYSA-N |
| XLogP | 26.77 |
| TPSA | 597.66 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.70 |
| LogP ≤ 5 | 26.77 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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