C184H279F13N22O34S11 — CID 158400428
N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)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;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 158400428) has the molecular formula C184H279F13N22O34S11 and a molecular weight of 3943.09 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)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;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide.
| Compound Name | N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)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;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide |
|---|---|
| PubChem CID | 158400428 |
| Molecular Formula | C184H279F13N22O34S11 |
| Molecular Weight | 3943.09 g/mol |
| Exact Mass | 3939.75 |
| IUPAC Name | N-(4-cyclopentyloxy-3-ethylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(3,5-dimethylcyclohexyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-ethyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-methoxy-4-(trifluoromethyl)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;2,3,4-trimethyl-5-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]pentanamide |
| SMILES | 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.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.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.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/C22H36N2O3S.2C21H34N2O4S.C20H28N2O3S2.C19H27N3O4S.C18H27F3N2O3S.C17H25F3N2O3S.C16H24F3N3O3S.C16H23F3N2O4S.C14H21FN2O3S/c1-16(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)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)21-10-6-5-7-20(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;1-11(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;1-4-13-11-14(8-9-15(13)17(18,19)20)22-16(23)7-5-6-10-21-26(24,25)12(2)3;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;1-11(2)21(19,20)16-10-4-3-5-14(18)17-13-8-6-12(15)7-9-13/h8-11,16-18,20,23H,5-7,12-15H2,1-4H3,(H,24,25);9-12,15-17,20,22H,5-8,13-14H2,1-4H3,(H,23,24);12-13,15-16,19,22H,4-11,14H2,1-3H3,(H,23,24);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);6-9,11-14,22H,10H2,1-5H3,(H,23,24);8-9,11-12,21H,4-7,10H2,1-3H3,(H,22,23);9-10,21H,5-8H2,1-4H3,(H,20,22,23);7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,22);6-9,11,16H,3-5,10H2,1-2H3,(H,17,18) |
| InChIKey | GYAPJTYOEODFNH-UHFFFAOYSA-N |
| XLogP | 36.56 |
| TPSA | 819.31 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 90 |
| Heavy Atoms | 264 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3943.09 |
| LogP ≤ 5 | 36.56 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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