C216H326F20N24O40S11 — CID 158005258
5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 158005258) has the molecular formula C216H326F20N24O40S11 and a molecular weight of 4631.81 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)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-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-2,3,4-trimethyl-N-[4-(trifluoromethyl)phenyl]pentanamide |
|---|---|
| PubChem CID | 158005258 |
| Molecular Formula | C216H326F20N24O40S11 |
| Molecular Weight | 4631.81 g/mol |
| Exact Mass | 4628.08 |
| IUPAC Name | 5-(tert-butylsulfonylamino)-N-(4-cyclopentyloxy-3-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(3,5-dimethylcyclohexyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]pentanamide;5-(tert-butylsulfonylamino)-N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-ethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-fluoro-3-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)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)c(OC(F)(F)F)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C(F)(F)F)cc1)C2=O.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.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.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.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.Cc1c(C(F)(F)F)cnc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1C |
| InChI | InChI=1S/C24H26F3N3O5S.2C23H38N2O3S.C22H36N2O5S.C22H36N2O4S.C19H29F3N2O3S.C18H27F3N2O3S.C17H26F3N3O3S.C17H25F3N2O4S.C16H22F4N2O4S.C15H23FN2O3S/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;1-17-14-18(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;1-16-14-20(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;1-5-17-16-18(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;1-12(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;1-16(2,3)27(24,25)21-10-6-5-7-15(23)22-12-8-9-13(17(18,19)20)14(11-12)26-4;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;1-15(2,3)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13/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);9-12,17-18,20,24H,6-8,13-16H2,1-5H3,(H,25,26);9-12,16-17,20,23H,6-8,13-15H2,1-5H3,(H,24,25);13-14,16,19,23H,5-12,15H2,1-4H3,(H,24,25);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);8-9,11,21H,5-7,10H2,1-4H3,(H,22,23);7-8,10,21H,4-6,9H2,1-3H3,(H,22,23);7-10,17H,4-6,11H2,1-3H3,(H,18,19) |
| InChIKey | FEFGJBYNUVDMDW-UHFFFAOYSA-N |
| XLogP | 44.34 |
| TPSA | 924.39 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 88 |
| Heavy Atoms | 311 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4631.81 |
| LogP ≤ 5 | 44.34 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 41 |