C159H243F4N31O36S15 — CID 158771627
N-(1,3-benzothiazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide (PubChem CID 158771627) has the molecular formula C159H243F4N31O36S15 and a molecular weight of 3721.87 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide.
| Compound Name | N-(1,3-benzothiazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide |
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| PubChem CID | 158771627 |
| Molecular Formula | C159H243F4N31O36S15 |
| Molecular Weight | 3721.87 g/mol |
| Exact Mass | 3718.39 |
| IUPAC Name | N-(1,3-benzothiazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzothiazol-6-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(tert-butylsulfonylamino)pentanamide;N-(1,3-benzoxazol-5-yl)-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]pentanamide;5-(tert-butylsulfonylamino)-N-[2-methyl-4-(trifluoromethyl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(tert-butylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide |
| SMILES | CC(C)(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ncsc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2ocnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2scnc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ncncn1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(-c2ccc(F)cc2)s1.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(OC)c1OC.Cc1cc(C(F)(F)F)ccc1NC(=O)CCCCNS(=O)(=O)C(C)(C)C |
| InChI | InChI=1S/C18H30N2O6S.C17H25F3N2O3S.C17H23FN4O3S2.C17H29N3O5S2.C17H24N2O3S2.C16H23N3O4S.2C16H23N3O3S2.C13H22N4O3S.C12H21N5O3S/c1-18(2,3)27(22,23)19-10-8-7-9-16(21)20-13-11-14(24-4)17(26-6)15(12-13)25-5;1-12-11-13(17(18,19)20)8-9-14(12)22-15(23)7-5-6-10-21-26(24,25)16(2,3)4;1-17(2,3)27(24,25)19-11-5-4-6-14(23)20-16-22-21-15(26-16)12-7-9-13(18)10-8-12;1-17(2,3)27(24,25)20-12-5-4-6-16(21)19-13-11-14-7-9-15(10-8-14)26(18,22)23;1-17(2,3)24(21,22)18-10-5-4-6-16(20)19-14-7-8-15-13(12-14)9-11-23-15;2*1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-14-13(10-12)17-11-23-14;1-16(2,3)24(21,22)18-9-5-4-6-15(20)19-12-7-8-13-14(10-12)23-11-17-13;1-13(2,3)21(19,20)16-10-5-4-7-11(18)17-12-14-8-6-9-15-12;1-12(2,3)21(19,20)16-7-5-4-6-10(18)17-11-14-8-13-9-15-11/h11-12,19H,7-10H2,1-6H3,(H,20,21);8-9,11,21H,5-7,10H2,1-4H3,(H,22,23);7-10,19H,4-6,11H2,1-3H3,(H,20,22,23);7-10,20H,4-6,11-13H2,1-3H3,(H,19,21)(H2,18,22,23);7-9,11-12,18H,4-6,10H2,1-3H3,(H,19,20);3*7-8,10-11,18H,4-6,9H2,1-3H3,(H,19,20);6,8-9,16H,4-5,7,10H2,1-3H3,(H,14,15,17,18);8-9,16H,4-7H2,1-3H3,(H,13,14,15,17,18) |
| InChIKey | IPYAQGWSZXTIJE-UHFFFAOYSA-N |
| XLogP | 25.06 |
| TPSA | 982.59 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 77 |
| Heavy Atoms | 245 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3721.87 |
| LogP ≤ 5 | 25.06 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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