C163H258F10N22O35S10 — CID 160904583
N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide;N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide (PubChem CID 160904583) has the molecular formula C163H258F10N22O35S10 and a molecular weight of 3596.63 g/mol. Its IUPAC name is N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide;N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide.
| Compound Name | N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide;N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide |
|---|---|
| PubChem CID | 160904583 |
| Molecular Formula | C163H258F10N22O35S10 |
| Molecular Weight | 3596.63 g/mol |
| Exact Mass | 3593.61 |
| IUPAC Name | N-cyclohexyl-5-(propan-2-ylsulfonylamino)pentanamide;N-cyclopropyl-5-(propan-2-ylsulfonylamino)pentanamide;N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-fluorophenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methoxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide |
| SMILES | CC(C)S(=O)(=O)NCCCCC(=O)NC1CC1.CC(C)S(=O)(=O)NCCCCC(=O)NC1CCCCC1.CC(C)S(=O)(=O)NCCCCC(=O)NCc1ccc(C(F)(F)F)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cc(F)c(C(F)(F)F)c(F)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)CC(F)C2.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c2c1CCCC2 |
| InChI | InChI=1S/2C21H33N3O5S.C19H30N2O3S.C17H25FN2O3S.C16H23F3N2O3S.C15H19F5N2O3S.C15H24N2O4S.C14H21FN2O3S.C14H28N2O3S.C11H22N2O3S/c1-15(2)30(27,28)22-11-6-5-10-20(25)23-19-9-7-8-18(12-19)21(26)24-13-16(3)29-17(4)14-24;1-15(2)30(27,28)22-12-6-5-7-20(25)23-19-10-8-18(9-11-19)21(26)24-13-16(3)29-17(4)14-24;1-14(2)25(23,24)20-13-7-6-10-19(22)21-18-12-11-15(3)16-8-4-5-9-17(16)18;1-12(2)24(22,23)19-8-4-3-5-17(21)20-16-7-6-13-9-15(18)10-14(13)11-16;1-12(2)25(23,24)21-10-4-3-5-15(22)20-11-13-6-8-14(9-7-13)16(17,18)19;1-9(2)26(24,25)21-6-4-3-5-13(23)22-10-7-11(16)14(12(17)8-10)15(18,19)20;1-12(2)22(19,20)16-11-5-4-6-15(18)17-13-7-9-14(21-3)10-8-13;1-11(2)21(19,20)16-10-4-3-5-14(18)17-13-8-6-12(15)7-9-13;1-12(2)20(18,19)15-11-7-6-10-14(17)16-13-8-4-3-5-9-13;1-9(2)17(15,16)12-8-4-3-5-11(14)13-10-6-7-10/h7-9,12,15-17,22H,5-6,10-11,13-14H2,1-4H3,(H,23,25);8-11,15-17,22H,5-7,12-14H2,1-4H3,(H,23,25);11-12,14,20H,4-10,13H2,1-3H3,(H,21,22);6-7,11-12,15,19H,3-5,8-10H2,1-2H3,(H,20,21);6-9,12,21H,3-5,10-11H2,1-2H3,(H,20,22);7-9,21H,3-6H2,1-2H3,(H,22,23);7-10,12,16H,4-6,11H2,1-3H3,(H,17,18);6-9,11,16H,3-5,10H2,1-2H3,(H,17,18);12-13,15H,3-11H2,1-2H3,(H,16,17);9-10,12H,3-8H2,1-2H3,(H,13,14)/t2*16-,17+;;;;;;;; |
| InChIKey | SPYQZAWMUNNEBZ-JOLBGNDSSA-N |
| XLogP | 23.95 |
| TPSA | 821.01 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 84 |
| Heavy Atoms | 240 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3596.63 |
| LogP ≤ 5 | 23.95 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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