C153H227F4N31O35S15 — CID 158183519
N-(2,1,3-benzothiadiazol-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1,3-benzothiazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-phenylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(propan-2-ylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide (PubChem CID 158183519) has the molecular formula C153H227F4N31O35S15 and a molecular weight of 3617.68 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1,3-benzothiazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-phenylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(propan-2-ylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide.
| Compound Name | N-(2,1,3-benzothiadiazol-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1,3-benzothiazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-phenylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(propan-2-ylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide |
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| PubChem CID | 158183519 |
| Molecular Formula | C153H227F4N31O35S15 |
| Molecular Weight | 3617.68 g/mol |
| Exact Mass | 3614.27 |
| IUPAC Name | N-(2,1,3-benzothiadiazol-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1,3-benzothiazol-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-(1-benzothiophen-5-yl)-5-(propan-2-ylsulfonylamino)pentanamide;N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-(propan-2-ylsulfonylamino)pentanamide;N-[2-methyl-4-(trifluoromethyl)phenyl]-5-(propan-2-ylsulfonylamino)pentanamide;N-(4-phenylphenyl)-5-(propan-2-ylsulfonylamino)pentanamide;5-(propan-2-ylsulfonylamino)-N-pyrimidin-2-ylpentanamide;5-(propan-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide;5-(propan-2-ylsulfonylamino)-N-(1,3,5-triazin-2-yl)pentanamide;5-(propan-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)pentanamide |
| SMILES | CC(C)S(=O)(=O)NCCCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2ccccc2)cc1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2sccc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2scnc2c1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1cccc2nsnc12.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ncccn1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1ncncn1.CC(C)S(=O)(=O)NCCCCC(=O)Nc1nnc(-c2ccc(F)cc2)s1.COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc(OC)c1OC.Cc1cc(C(F)(F)F)ccc1NC(=O)CCCCNS(=O)(=O)C(C)C |
| InChI | InChI=1S/C20H26N2O3S.C17H28N2O6S.C16H23F3N2O3S.C16H21FN4O3S2.C16H27N3O5S2.C16H22N2O3S2.C15H21N3O3S2.C14H20N4O3S2.C12H20N4O3S.C11H19N5O3S/c1-16(2)26(24,25)21-15-7-6-10-20(23)22-19-13-11-18(12-14-19)17-8-4-3-5-9-17;1-12(2)26(21,22)18-9-7-6-8-16(20)19-13-10-14(23-3)17(25-5)15(11-13)24-4;1-11(2)25(23,24)20-9-5-4-6-15(22)21-14-8-7-13(10-12(14)3)16(17,18)19;1-11(2)26(23,24)18-10-4-3-5-14(22)19-16-21-20-15(25-16)12-6-8-13(17)9-7-12;1-13(2)26(23,24)19-11-4-3-5-16(20)18-12-10-14-6-8-15(9-7-14)25(17,21)22;1-12(2)23(20,21)17-9-4-3-5-16(19)18-14-6-7-15-13(11-14)8-10-22-15;1-11(2)23(20,21)17-8-4-3-5-15(19)18-12-6-7-14-13(9-12)16-10-22-14;1-10(2)23(20,21)15-9-4-3-8-13(19)16-11-6-5-7-12-14(11)18-22-17-12;1-10(2)20(18,19)15-9-4-3-6-11(17)16-12-13-7-5-8-14-12;1-9(2)20(18,19)15-6-4-3-5-10(17)16-11-13-7-12-8-14-11/h3-5,8-9,11-14,16,21H,6-7,10,15H2,1-2H3,(H,22,23);10-12,18H,6-9H2,1-5H3,(H,19,20);7-8,10-11,20H,4-6,9H2,1-3H3,(H,21,22);6-9,11,18H,3-5,10H2,1-2H3,(H,19,21,22);6-9,13,19H,3-5,10-12H2,1-2H3,(H,18,20)(H2,17,21,22);6-8,10-12,17H,3-5,9H2,1-2H3,(H,18,19);6-7,9-11,17H,3-5,8H2,1-2H3,(H,18,19);5-7,10,15H,3-4,8-9H2,1-2H3,(H,16,19);5,7-8,10,15H,3-4,6,9H2,1-2H3,(H,13,14,16,17);7-9,15H,3-6H2,1-2H3,(H,12,13,14,16,17) |
| InChIKey | FYWLQOGAMOONQF-UHFFFAOYSA-N |
| XLogP | 22.08 |
| TPSA | 969.45 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 88 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3617.68 |
| LogP ≤ 5 | 22.08 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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