C185H287F3N26O40S11 — CID 159350455
N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N,N-di(propan-2-yl)-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N,N-di(propan-2-yl)-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-[4-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1,2-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide (PubChem CID 159350455) has the molecular formula C185H287F3N26O40S11 and a molecular weight of 3925.20 g/mol. Its IUPAC name is N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N,N-di(propan-2-yl)-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N,N-di(propan-2-yl)-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-[4-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1,2-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide.
| Compound Name | N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N,N-di(propan-2-yl)-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N,N-di(propan-2-yl)-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-[4-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1,2-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide |
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| PubChem CID | 159350455 |
| Molecular Formula | C185H287F3N26O40S11 |
| Molecular Weight | 3925.20 g/mol |
| Exact Mass | 3921.81 |
| IUPAC Name | N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N,N-di(propan-2-yl)-3-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N,N-di(propan-2-yl)-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-[4-(furan-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(1,2-oxazol-5-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(propan-2-ylsulfamoyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]pentanamide |
| SMILES | CC(C)N(C(=O)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1)C(C)C.CC(C)N(C(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1)C(C)C.CC(C)NS(=O)(=O)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2ccco2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2ccno2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OC2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(OCC2CC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OC2CCCCC2)c1 |
| InChI | InChI=1S/2C21H35N3O4S.2C20H32N2O4S.C19H29N3O4S.C18H24N2O4S.C18H28N2O4S.C17H29N3O5S2.C17H23N3O4S.C14H20F3N3O3S/c1-15(2)24(16(3)4)21(26)18-10-9-11-19(14-18)23-20(25)12-7-8-13-22-29(27,28)17(5)6;1-15(2)24(16(3)4)21(26)18-10-12-19(13-11-18)23-20(25)9-7-8-14-22-29(27,28)17(5)6;1-16(2)27(24,25)21-14-7-6-13-20(23)22-17-9-8-12-19(15-17)26-18-10-4-3-5-11-18;1-16(2)27(24,25)21-15-7-6-10-20(23)22-17-11-13-19(14-12-17)26-18-8-4-3-5-9-18;1-15(2)27(25,26)20-13-5-3-7-18(23)21-16-9-11-17(12-10-16)22-14-6-4-8-19(22)24;1-14(2)25(22,23)19-12-4-3-7-18(21)20-16-10-8-15(9-11-16)17-6-5-13-24-17;1-14(2)25(22,23)19-12-4-3-5-18(21)20-16-8-10-17(11-9-16)24-13-15-6-7-15;1-13(2)20-27(24,25)16-10-8-15(9-11-16)19-17(21)7-5-6-12-18-26(22,23)14(3)4;1-13(2)25(22,23)19-11-4-3-5-17(21)20-15-8-6-14(7-9-15)16-10-12-18-24-16;1-10(2)24(22,23)19-8-4-3-5-13(21)20-12-7-6-11(9-18-12)14(15,16)17/h9-11,14-17,22H,7-8,12-13H2,1-6H3,(H,23,25);10-13,15-17,22H,7-9,14H2,1-6H3,(H,23,25);8-9,12,15-16,18,21H,3-7,10-11,13-14H2,1-2H3,(H,22,23);11-14,16,18,21H,3-10,15H2,1-2H3,(H,22,23);9-12,15,20H,3-8,13-14H2,1-2H3,(H,21,23);5-6,8-11,13-14,19H,3-4,7,12H2,1-2H3,(H,20,21);8-11,14-15,19H,3-7,12-13H2,1-2H3,(H,20,21);8-11,13-14,18,20H,5-7,12H2,1-4H3,(H,19,21);6-10,12-13,19H,3-5,11H2,1-2H3,(H,20,21);6-7,9-10,19H,3-5,8H2,1-2H3,(H,18,20,21) |
| InChIKey | LHGLCVWXDGSODP-UHFFFAOYSA-N |
| XLogP | 30.49 |
| TPSA | 939.55 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 99 |
| Heavy Atoms | 265 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3925.20 |
| LogP ≤ 5 | 30.49 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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