C165H242F6N20O30S13 — CID 158266687
N-(1-benzothiophen-6-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-5-methyl-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 158266687) has the molecular formula C165H242F6N20O30S13 and a molecular weight of 3516.72 g/mol. Its IUPAC name is N-(1-benzothiophen-6-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-5-methyl-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]pentanamide.
| Compound Name | N-(1-benzothiophen-6-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-5-methyl-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]pentanamide |
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| PubChem CID | 158266687 |
| Molecular Formula | C165H242F6N20O30S13 |
| Molecular Weight | 3516.72 g/mol |
| Exact Mass | 3513.43 |
| IUPAC Name | N-(1-benzothiophen-6-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-(4,7-dimethyl-1,3-benzothiazol-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9H-fluoren-9-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(7-methyl-1-benzothiophen-6-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pentanamide;3-[5-(tert-butylsulfonylamino)pentanoylamino]-5-methyl-N-propan-2-ylbenzamide;5-(tert-butylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]pentanamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)NC1c2ccccc2-c2ccccc21.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ccsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1cccc(C(F)(F)F)c1.CC1COc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2O1.Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc(C(F)(F)F)c1C.Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc2ccsc12.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c(C)c2scnc12.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(C(=O)NC(C)C)c1.Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2ccsc12 |
| InChI | InChI=1S/C22H28N2O3S.C20H33N3O4S.C18H27F3N2O3S.C18H27N3O3S2.C18H28N2O5S.2C18H26N2O3S2.C17H24N2O3S2.C16H23F3N2O3S/c1-22(2,3)28(26,27)23-15-9-8-14-20(25)24-21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21;1-14(2)22-19(25)16-11-15(3)12-17(13-16)23-18(24)9-7-8-10-21-28(26,27)20(4,5)6;1-12-13(2)15(10-9-14(12)18(19,20)21)23-16(24)8-6-7-11-22-27(25,26)17(3,4)5;1-12-10-14(13(2)17-16(12)19-11-25-17)21-15(22)8-6-7-9-20-26(23,24)18(3,4)5;1-13-12-24-15-9-8-14(11-16(15)25-13)20-17(21)7-5-6-10-19-26(22,23)18(2,3)4;1-13-15(9-8-14-10-12-24-17(13)14)20-16(21)7-5-6-11-19-25(22,23)18(2,3)4;1-13-11-15(12-14-8-10-24-17(13)14)20-16(21)7-5-6-9-19-25(22,23)18(2,3)4;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-8-7-13-9-11-23-15(13)12-14;1-15(2,3)25(23,24)20-10-5-4-9-14(22)21-13-8-6-7-12(11-13)16(17,18)19/h4-7,10-13,21,23H,8-9,14-15H2,1-3H3,(H,24,25);11-14,21H,7-10H2,1-6H3,(H,22,25)(H,23,24);9-10,22H,6-8,11H2,1-5H3,(H,23,24);10-11,20H,6-9H2,1-5H3,(H,21,22);8-9,11,13,19H,5-7,10,12H2,1-4H3,(H,20,21);8-10,12,19H,5-7,11H2,1-4H3,(H,20,21);8,10-12,19H,5-7,9H2,1-4H3,(H,20,21);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);6-8,11,20H,4-5,9-10H2,1-3H3,(H,21,22) |
| InChIKey | GINMCEMUUJOHHO-UHFFFAOYSA-N |
| XLogP | 32.62 |
| TPSA | 737.88 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3516.72 |
| LogP ≤ 5 | 32.62 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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