C256H363ClF2N36O53S12 — CID 160646702
N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-N'-propan-2-ylsulfonylpentanediamide;1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-methyl-3-(propan-2-ylsulfonylamino)propyl]urea;N-(1,3-dioxo-2-phenylisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-ethyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-(2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide (PubChem CID 160646702) has the molecular formula C256H363ClF2N36O53S12 and a molecular weight of 5251.17 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-N'-propan-2-ylsulfonylpentanediamide;1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-methyl-3-(propan-2-ylsulfonylamino)propyl]urea;N-(1,3-dioxo-2-phenylisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-ethyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-(2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide.
| Compound Name | N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-N'-propan-2-ylsulfonylpentanediamide;1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-methyl-3-(propan-2-ylsulfonylamino)propyl]urea;N-(1,3-dioxo-2-phenylisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-ethyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-(2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide |
|---|---|
| PubChem CID | 160646702 |
| Molecular Formula | C256H363ClF2N36O53S12 |
| Molecular Weight | 5251.17 g/mol |
| Exact Mass | 5246.31 |
| IUPAC Name | N-[2-(4-butan-2-ylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-ethyl-2-fluorophenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-3-methylphenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-N'-propan-2-ylsulfonylpentanediamide;1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-methyl-3-(propan-2-ylsulfonylamino)propyl]urea;N-(1,3-dioxo-2-phenylisoindol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(8-ethyl-2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;4-methyl-N-(2-oxochromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(2-oxo-8-propan-2-ylchromen-6-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1-phenyltetrazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide |
| SMILES | CC(C)CC(NC(=O)CCCCNS(=O)(=O)C(C)C)C1(c2ccc(Cl)cc2)CCC1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2nnnn2-c2ccccc2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.CC(C)c1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2ccc(=O)oc12.CC(CCC(=O)Nc1ccc2oc(=O)ccc2c1)CNS(=O)(=O)C(C)C.CC(CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)CNS(=O)(=O)C(C)C.CCC(C)c1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1.CCc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1F.CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2ccc(=O)oc12.Cc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1F.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)CCCC(=O)NS(=O)(=O)C(C)C.Cc1ccc(N2C(=O)c3ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc3C2=O)cc1 |
| InChI | InChI=1S/C26H33N3O5S.C23H37ClN2O3S.C23H27N3O5S.C22H36FN3O4S.C22H25N3O5S.C21H34FN3O4S.C21H26N6O3S.C21H33N3O5S.C20H34N4O4S.C20H28N2O5S.C19H26N2O5S.C18H24N2O5S/c1-5-18(4)19-9-12-21(13-10-19)29-25(31)22-14-11-20(16-23(22)26(29)32)28-24(30)8-6-7-15-27-35(33,34)17(2)3;1-17(2)16-21(23(13-7-14-23)19-9-11-20(24)12-10-19)26-22(27)8-5-6-15-25-30(28,29)18(3)4;1-15(2)32(30,31)24-13-5-4-6-21(27)25-17-9-12-19-20(14-17)23(29)26(22(19)28)18-10-7-16(3)8-11-18;1-6-18-20(26-13-16(4)30-17(5)14-26)11-10-19(22(18)23)25-21(27)9-7-8-12-24-31(28,29)15(2)3;1-15(2)31(29,30)23-13-7-6-10-20(26)24-16-11-12-18-19(14-16)22(28)25(21(18)27)17-8-4-3-5-9-17;1-14(2)30(27,28)23-11-7-6-8-20(26)24-18-9-10-19(17(5)21(18)22)25-12-15(3)29-16(4)13-25;1-16(2)31(29,30)22-15-7-6-10-20(28)23-18-13-11-17(12-14-18)21-24-25-26-27(21)19-8-4-3-5-9-19;1-14(2)30(27,28)23-21(26)8-6-7-20(25)22-19-10-9-18(11-15(19)3)24-12-16(4)29-17(5)13-24;1-14(2)29(26,27)22-11-15(3)10-21-20(25)23-18-6-8-19(9-7-18)24-12-16(4)28-17(5)13-24;1-13(2)17-12-16(11-15-8-9-19(24)27-20(15)17)22-18(23)7-5-6-10-21-28(25,26)14(3)4;1-4-14-11-16(12-15-8-9-18(23)26-19(14)15)21-17(22)7-5-6-10-20-27(24,25)13(2)3;1-12(2)26(23,24)19-11-13(3)4-8-17(21)20-15-6-7-16-14(10-15)5-9-18(22)25-16/h9-14,16-18,27H,5-8,15H2,1-4H3,(H,28,30);9-12,17-18,21,25H,5-8,13-16H2,1-4H3,(H,26,27);7-12,14-15,24H,4-6,13H2,1-3H3,(H,25,27);10-11,15-17,24H,6-9,12-14H2,1-5H3,(H,25,27);3-5,8-9,11-12,14-15,23H,6-7,10,13H2,1-2H3,(H,24,26);9-10,14-16,23H,6-8,11-13H2,1-5H3,(H,24,26);3-5,8-9,11-14,16,22H,6-7,10,15H2,1-2H3,(H,23,28);9-11,14,16-17H,6-8,12-13H2,1-5H3,(H,22,25)(H,23,26);6-9,14-17,22H,10-13H2,1-5H3,(H2,21,23,25);8-9,11-14,21H,5-7,10H2,1-4H3,(H,22,23);8-9,11-13,20H,4-7,10H2,1-3H3,(H,21,22);5-7,9-10,12-13,19H,4,8,11H2,1-3H3,(H,20,21)/t;;;16-,17+;;15-,16+;;16-,17+;15?,16-,17+;;; |
| InChIKey | RJWIKMKXDASBIA-FRWPKUDPSA-N |
| XLogP | 38.35 |
| TPSA | 1228.59 Ų |
| H-Bond Donors | 25 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 112 |
| Heavy Atoms | 360 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5251.17 |
| LogP ≤ 5 | 38.35 |
| H-Bond Donors ≤ 5 | 25 |
| H-Bond Acceptors ≤ 10 | 61 |