C157H245F10N17O26S9 — CID 161345396
5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 161345396) has the molecular formula C157H245F10N17O26S9 and a molecular weight of 3265.36 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide.
| Compound Name | 5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide |
|---|---|
| PubChem CID | 161345396 |
| Molecular Formula | C157H245F10N17O26S9 |
| Molecular Weight | 3265.36 g/mol |
| Exact Mass | 3262.57 |
| IUPAC Name | 5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclopentyl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(4-methylthiophen-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(CNS(=O)(=O)C(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)C)cc2)C1.CC1CCC(Oc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2)C1C.CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1OC1CCCC1.Cc1c(C(F)(F)F)cnc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1C.Cc1csc(-c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(C)c2)c1 |
| InChI | InChI=1S/C23H38N2O3S.2C22H36N2O4S.C21H30N2O3S2.C19H29F3N2O3S.C18H27F3N2O3S.C17H26F3N3O3S.C15H23FN2O3S/c1-17-14-18(2)16-20(15-17)19-9-11-21(12-10-19)25-22(26)8-6-7-13-24-29(27,28)23(3,4)5;1-16-9-14-20(17(16)2)28-19-12-10-18(11-13-19)24-21(25)8-6-7-15-23-29(26,27)22(3,4)5;1-5-17-16-18(13-14-20(17)28-19-10-6-7-11-19)24-21(25)12-8-9-15-23-29(26,27)22(2,3)4;1-15-12-19(27-14-15)17-9-10-18(16(2)13-17)23-20(24)8-6-7-11-22-28(25,26)21(3,4)5;1-12(11-23-28(26,27)18(4,5)6)13(2)14(3)17(25)24-16-9-7-15(8-10-16)19(20,21)22;1-5-13-12-14(9-10-15(13)18(19,20)21)23-16(24)8-6-7-11-22-27(25,26)17(2,3)4;1-11-12(2)15(21-10-13(11)17(18,19)20)23-14(24)8-6-7-9-22-27(25,26)16(3,4)5;1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13/h9-12,17-18,20,24H,6-8,13-16H2,1-5H3,(H,25,26);10-13,16-17,20,23H,6-9,14-15H2,1-5H3,(H,24,25);13-14,16,19,23H,5-12,15H2,1-4H3,(H,24,25);9-10,12-14,22H,6-8,11H2,1-5H3,(H,23,24);7-10,12-14,23H,11H2,1-6H3,(H,24,25);9-10,12,22H,5-8,11H2,1-4H3,(H,23,24);10,22H,6-9H2,1-5H3,(H,21,23,24);7-10,17H,4-6,11H2,1-3H3,(H,18,19) |
| InChIKey | VNFLBUYNOOLOMZ-UHFFFAOYSA-N |
| XLogP | 33.20 |
| TPSA | 633.51 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 219 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3265.36 |
| LogP ≤ 5 | 33.20 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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