C82H80F16N18O7S5 — CID 158155864
N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 158155864) has the molecular formula C82H80F16N18O7S5 and a molecular weight of 1893.96 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone.
| Compound Name | N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 158155864 |
| Molecular Formula | C82H80F16N18O7S5 |
| Molecular Weight | 1893.96 g/mol |
| Exact Mass | 1892.48 |
| IUPAC Name | N-[2-(4-fluorophenyl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-(2-methylbutyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide;1-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperazin-1-yl]ethanone |
| SMILES | CC(=O)N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.CCC(C)CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1.Cn1nc(-c2ccc(C(=O)NCCOc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C18H15F4N3OS.C18H16F3N3O2S.C16H17F3N4O2S.C15H14F3N5OS.C15H18F3N3OS/c1-25-16(18(20,21)22)10-13(24-25)14-6-7-15(27-14)17(26)23-9-8-11-2-4-12(19)5-3-11;1-24-16(18(19,20)21)11-13(23-24)14-7-8-15(27-14)17(25)22-9-10-26-12-5-3-2-4-6-12;1-10(24)22-5-7-23(8-6-22)15(25)13-4-3-12(26-13)11-9-14(16(17,18)19)21(2)20-11;1-23-13(15(16,17)18)6-10(22-23)11-2-3-12(25-11)14(24)20-5-4-9-7-19-8-21-9;1-4-9(2)8-19-14(22)12-6-5-11(23-12)10-7-13(15(16,17)18)21(3)20-10/h2-7,10H,8-9H2,1H3,(H,23,26);2-8,11H,9-10H2,1H3,(H,22,25);3-4,9H,5-8H2,1-2H3;2-3,6-8H,4-5H2,1H3,(H,19,21)(H,20,24);5-7,9H,4,8H2,1-3H3,(H,19,22) |
| InChIKey | FVRFWGXPWHBYRG-UHFFFAOYSA-N |
| XLogP | 17.53 |
| TPSA | 284.03 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 128 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1893.96 |
| LogP ≤ 5 | 17.53 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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