C167H251F7N22O34S9 — CID 159426634
5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;N-(4-cyanophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-phenyl-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 159426634) has the molecular formula C167H251F7N22O34S9 and a molecular weight of 3532.55 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;N-(4-cyanophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-phenyl-5-(propan-2-ylsulfonylamino)pentanamide.
| Compound Name | 5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;N-(4-cyanophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-phenyl-5-(propan-2-ylsulfonylamino)pentanamide |
|---|---|
| PubChem CID | 159426634 |
| Molecular Formula | C167H251F7N22O34S9 |
| Molecular Weight | 3532.55 g/mol |
| Exact Mass | 3529.60 |
| IUPAC Name | 5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;N-(4-cyanophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-morpholin-4-ylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-phenyl-5-(propan-2-ylsulfonylamino)pentanamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C#N)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(N2CCOCC2)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(N2C[C@@H](C)O[C@@H](C)C2)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1.CC1CC(Oc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)CC(C)O1.CC1CCCC(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)C1C.Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1 |
| InChI | InChI=1S/C24H26F3N3O5S.C23H38N2O3S.C22H36N2O5S.C20H33N3O4S.C18H29N3O4S.C16H22F4N2O4S.C15H21N3O3S.C15H24N2O3S.C14H22N2O3S/c1-23(2,3)36(34,35)28-13-5-4-6-20(31)29-16-9-12-18-19(14-16)22(33)30(21(18)32)17-10-7-15(8-11-17)24(25,26)27;1-17-9-8-10-21(18(17)2)19-12-14-20(15-13-19)25-22(26)11-6-7-16-24-29(27,28)23(3,4)5;1-16-14-20(15-17(2)28-16)29-19-11-9-18(10-12-19)24-21(25)8-6-7-13-23-30(26,27)22(3,4)5;1-15(2)28(25,26)21-11-6-5-10-20(24)22-18-8-7-9-19(12-18)23-13-16(3)27-17(4)14-23;1-15(2)26(23,24)19-9-4-3-8-18(22)20-16-6-5-7-17(14-16)21-10-12-25-13-11-21;1-15(2,3)27(24,25)21-9-5-4-6-14(23)22-11-7-8-12(17)13(10-11)26-16(18,19)20;1-12(2)22(20,21)17-10-4-3-5-15(19)18-14-8-6-13(11-16)7-9-14;1-12(2)21(19,20)16-11-5-4-6-15(18)17-14-9-7-13(3)8-10-14;1-12(2)20(18,19)15-11-7-6-10-14(17)16-13-8-4-3-5-9-13/h7-12,14,28H,4-6,13H2,1-3H3,(H,29,31);12-15,17-18,21,24H,6-11,16H2,1-5H3,(H,25,26);9-12,16-17,20,23H,6-8,13-15H2,1-5H3,(H,24,25);7-9,12,15-17,21H,5-6,10-11,13-14H2,1-4H3,(H,22,24);5-7,14-15,19H,3-4,8-13H2,1-2H3,(H,20,22);7-8,10,21H,4-6,9H2,1-3H3,(H,22,23);6-9,12,17H,3-5,10H2,1-2H3,(H,18,19);7-10,12,16H,4-6,11H2,1-3H3,(H,17,18);3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,16,17)/t;;;16-,17+;;;;; |
| InChIKey | LQLBSMMMKZFFKR-WUVMCQLKSA-N |
| XLogP | 28.03 |
| TPSA | 791.23 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 75 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3532.55 |
| LogP ≤ 5 | 28.03 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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