C313H501ClF9N41O60S18 — CID 158317709
N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)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-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide (PubChem CID 158317709) has the molecular formula C313H501ClF9N41O60S18 and a molecular weight of 6582.32 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)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-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide.
| Compound Name | N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)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-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide |
|---|---|
| PubChem CID | 158317709 |
| Molecular Formula | C313H501ClF9N41O60S18 |
| Molecular Weight | 6582.32 g/mol |
| Exact Mass | 6576.19 |
| IUPAC Name | N-(4-butan-2-ylphenyl)-5-(tert-butylsulfonylamino)pentanamide;N-(4-tert-butylphenyl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4-chlorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-cyanophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]pentanamide;5-(tert-butylsulfonylamino)-N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(4-ethylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(2-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-fluorophenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)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-propan-2-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-propylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(2,4,6-trifluorophenyl)pentanamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1c(F)cc(F)cc1F.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C#N)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC(F)(F)F)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(F)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(N2CCOCC2)c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccccc1F.CC(C)(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCC(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CCc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.COc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.C[C@@H]1CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2F)C[C@H](C)O1.C[C@@H]1CN(c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1N1C[C@@H](C)O[C@@H](C)C1.Cc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1 |
| InChI | InChI=1S/C22H37N3O4S.C21H34FN3O4S.C21H35N3O4S.C19H31N3O4S.2C19H32N2O3S.2C18H30N2O3S.C17H28N2O3S.C16H23F3N2O4S.C16H23N3O3S.C16H26N2O4S.C16H26N2O3S.C15H23ClN2O3S.C15H21F3N2O3S.2C15H23FN2O3S.C15H24N2O3S/c1-16-13-19(10-11-20(16)25-14-17(2)29-18(3)15-25)24-21(26)9-7-8-12-23-30(27,28)22(4,5)6;1-15-13-25(14-16(2)29-15)19-10-9-17(12-18(19)22)24-20(26)8-6-7-11-23-30(27,28)21(3,4)5;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;1-18(2,3)15-10-12-16(13-11-15)21-17(22)9-7-8-14-20-25(23,24)19(4,5)6;1-6-15(2)16-10-12-17(13-11-16)21-18(22)9-7-8-14-20-25(23,24)19(3,4)5;1-14(2)15-9-11-16(12-10-15)20-17(21)8-6-7-13-19-24(22,23)18(3,4)5;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;1-15(2,3)26(23,24)20-11-5-4-6-14(22)21-12-7-9-13(10-8-12)25-16(17,18)19;1-16(2,3)23(21,22)18-11-5-4-6-15(20)19-14-9-7-13(12-17)8-10-14;1-16(2,3)23(20,21)17-12-6-5-7-15(19)18-13-8-10-14(22-4)11-9-13;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)22(20,21)17-11-5-4-6-14(19)18-13-9-7-12(16)8-10-13;1-15(2,3)24(22,23)19-7-5-4-6-13(21)20-14-11(17)8-10(16)9-12(14)18;1-15(2,3)22(20,21)17-10-5-4-9-14(19)18-13-8-6-7-12(16)11-13;1-15(2,3)22(20,21)17-11-7-6-10-14(19)18-13-9-5-4-8-12(13)16;1-15(2,3)21(19,20)16-12-8-7-11-14(18)17-13-9-5-4-6-10-13/h10-11,13,17-18,23H,7-9,12,14-15H2,1-6H3,(H,24,26);9-10,12,15-16,23H,6-8,11,13-14H2,1-5H3,(H,24,26);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);10-13,20H,7-9,14H2,1-6H3,(H,21,22);10-13,15,20H,6-9,14H2,1-5H3,(H,21,22);9-12,14,19H,6-8,13H2,1-5H3,(H,20,21);10-13,19H,5-9,14H2,1-4H3,(H,20,21);9-12,18H,5-8,13H2,1-4H3,(H,19,20);7-10,20H,4-6,11H2,1-3H3,(H,21,22);7-10,18H,4-6,11H2,1-3H3,(H,19,20);8-11,17H,5-7,12H2,1-4H3,(H,18,19);8-11,17H,5-7,12H2,1-4H3,(H,18,19);7-10,17H,4-6,11H2,1-3H3,(H,18,19);8-9,19H,4-7H2,1-3H3,(H,20,21);6-8,11,17H,4-5,9-10H2,1-3H3,(H,18,19);4-5,8-9,17H,6-7,10-11H2,1-3H3,(H,18,19);4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,17,18)/t17-,18+;15-,16+;16-,17+;;;;;;;;;;;;;;; |
| InChIKey | GOLVEOPLEDKNTD-MWBHTSHFSA-N |
| XLogP | 55.25 |
| TPSA | 1446.99 Ų |
| H-Bond Donors | 36 |
| H-Bond Acceptors | 65 |
| Rotatable Bonds | 138 |
| Heavy Atoms | 442 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6582.32 |
| LogP ≤ 5 | 55.25 |
| H-Bond Donors ≤ 5 | 36 |
| H-Bond Acceptors ≤ 10 | 65 |