C147H223F3N20O28S8 — CID 160925101
5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-phenylpentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 160925101) has the molecular formula C147H223F3N20O28S8 and a molecular weight of 3032.04 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-phenylpentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
| Compound Name | 5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-phenylpentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 160925101 |
| Molecular Formula | C147H223F3N20O28S8 |
| Molecular Weight | 3032.04 g/mol |
| Exact Mass | 3029.44 |
| IUPAC Name | 5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-morpholin-4-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-phenylpentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;N-[1,3-dioxo-2-[4-(trifluoromethyl)phenyl]isoindol-5-yl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C#N)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(N2CCOCC2)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1.CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccc(C(F)(F)F)cc2)C3=O)CC1.CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.C[C@@H]1CN(c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1.Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1 |
| InChI | InChI=1S/C25H26F3N3O5S.C21H35N3O4S.C19H31N3O4S.C18H30N2O3S.C17H28N2O3S.C16H23N3O3S.C16H26N2O3S.C15H24N2O3S/c1-14(2)37(35,36)30-17-7-3-15(4-8-17)22(32)29-18-9-12-20-21(13-18)24(34)31(23(20)33)19-10-5-16(6-11-19)25(26,27)28;1-16-14-24(15-17(2)28-16)19-10-8-9-18(13-19)23-20(25)11-6-7-12-22-29(26,27)21(3,4)5;1-19(2,3)27(24,25)20-10-5-4-9-18(23)21-16-7-6-8-17(15-16)22-11-13-26-14-12-22;1-5-8-15-10-12-16(13-11-15)20-17(21)9-6-7-14-19-24(22,23)18(2,3)4;1-5-14-9-11-15(12-10-14)19-16(20)8-6-7-13-18-23(21,22)17(2,3)4;1-16(2,3)23(21,22)18-11-5-4-6-15(20)19-14-9-7-13(12-17)8-10-14;1-13-8-10-14(11-9-13)18-15(19)7-5-6-12-17-22(20,21)16(2,3)4;1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h5-6,9-15,17,30H,3-4,7-8H2,1-2H3,(H,29,32);8-10,13,16-17,22H,6-7,11-12,14-15H2,1-5H3,(H,23,25);6-8,15,20H,4-5,9-14H2,1-3H3,(H,21,23);10-13,19H,5-9,14H2,1-4H3,(H,20,21);9-12,18H,5-8,13H2,1-4H3,(H,19,20);7-10,18H,4-6,11H2,1-3H3,(H,19,20);8-11,17H,5-7,12H2,1-4H3,(H,18,19);4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,17,18)/t;16-,17+;;;;;; |
| InChIKey | SSNOXMSZNYZICD-FCNPAJJFSA-N |
| XLogP | 24.07 |
| TPSA | 688.27 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3032.04 |
| LogP ≤ 5 | 24.07 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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