C289H448F3N43O67S20 — CID 158652687
N-butan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-tert-butyl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;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-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(propan-2-ylsulfamoyl)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 158652687) has the molecular formula C289H448F3N43O67S20 and a molecular weight of 6295.33 g/mol. Its IUPAC name is N-butan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-tert-butyl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;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-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(propan-2-ylsulfamoyl)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-butan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-tert-butyl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;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-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(propan-2-ylsulfamoyl)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 | 158652687 |
| Molecular Formula | C289H448F3N43O67S20 |
| Molecular Weight | 6295.33 g/mol |
| Exact Mass | 6289.73 |
| IUPAC Name | N-butan-2-yl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-tert-butyl-4-[5-(propan-2-ylsulfonylamino)pentanoylamino]benzamide;N-(3-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-cyclohexyloxyphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(cyclopropylmethoxy)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;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-(1,3-oxazol-2-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopiperidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(3-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-piperidin-1-ylsulfonylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[3-(propan-2-ylsulfamoyl)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)NS(=O)(=O)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1.CC(C)NS(=O)(=O)c1cccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c1.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(-c2ncco2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C(F)(F)F)cn1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCC2=O)cc1.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)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OC2CCCCC2)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(OCC2CC2)c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.CCC(C)NC(=O)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc1 |
| InChI | InChI=1S/2C20H32N2O4S.2C19H31N3O5S2.C19H29N3O4S.2C19H31N3O4S.C18H27N3O4S.C18H28N2O4S.C18H24N2O4S.C18H28N2O4S.2C17H29N3O5S2.2C17H23N3O4S.C14H20F3N3O3S/c1-16(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;1-16(2)28(24,25)20-12-5-4-11-19(23)21-17-9-8-10-18(15-17)29(26,27)22-13-6-3-7-14-22;1-16(2)28(24,25)20-13-5-4-8-19(23)21-17-9-11-18(12-10-17)29(26,27)22-14-6-3-7-15-22;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)27(25,26)20-13-7-6-8-17(23)21-16-11-9-15(10-12-16)18(24)22-19(3,4)5;1-5-15(4)21-19(24)16-9-11-17(12-10-16)22-18(23)8-6-7-13-20-27(25,26)14(2)3;1-14(2)26(24,25)19-12-4-3-6-17(22)20-15-8-10-16(11-9-15)21-13-5-7-18(21)23;1-14(2)25(22,23)19-11-4-3-8-18(21)20-16-6-5-7-17(12-16)24-13-15-9-10-15;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)16-9-7-8-15(12-16)19-17(21)10-5-6-11-18-26(22,23)14(3)4;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;1-13(2)25(22,23)19-10-4-3-5-16(21)20-15-8-6-14(7-9-15)17-18-11-12-24-17;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/h8-9,12,15-16,18,21H,3-7,10-11,13-14H2,1-2H3,(H,22,23);11-14,16,18,21H,3-10,15H2,1-2H3,(H,22,23);8-10,15-16,20H,3-7,11-14H2,1-2H3,(H,21,23);9-12,16,20H,3-8,13-15H2,1-2H3,(H,21,23);9-12,15,20H,3-8,13-14H2,1-2H3,(H,21,23);9-12,14,20H,6-8,13H2,1-5H3,(H,21,23)(H,22,24);9-12,14-15,20H,5-8,13H2,1-4H3,(H,21,24)(H,22,23);8-11,14,19H,3-7,12-13H2,1-2H3,(H,20,22);5-7,12,14-15,19H,3-4,8-11,13H2,1-2H3,(H,20,21);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);7-9,12-14,18,20H,5-6,10-11H2,1-4H3,(H,19,21);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);6-9,11-13,19H,3-5,10H2,1-2H3,(H,20,21);6-7,9-10,19H,3-5,8H2,1-2H3,(H,18,20,21) |
| InChIKey | IBTAQBLCAYTVLQ-UHFFFAOYSA-N |
| XLogP | 43.38 |
| TPSA | 1585.25 Ų |
| H-Bond Donors | 36 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 157 |
| Heavy Atoms | 422 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6295.33 |
| LogP ≤ 5 | 43.38 |
| H-Bond Donors ≤ 5 | 36 |
| H-Bond Acceptors ≤ 10 | 70 |