C84H84F15N17O7S5 — CID 161332560
N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide (PubChem CID 161332560) has the molecular formula C84H84F15N17O7S5 and a molecular weight of 1889.01 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide.
| Compound Name | N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide |
|---|---|
| PubChem CID | 161332560 |
| Molecular Formula | C84H84F15N17O7S5 |
| Molecular Weight | 1889.01 g/mol |
| Exact Mass | 1887.51 |
| IUPAC Name | N-cyclohexyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-prop-2-enylthiophene-2-carboxamide;N-[2-(1H-imidazol-5-yl)ethyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-[(5-methylfuran-2-yl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;(4-methylpiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-phenoxyethyl)thiophene-2-carboxamide |
| SMILES | C=CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)C1CCCCC1.CC1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)o1.Cn1nc(-c2ccc(C(=O)NCCOc3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)NCCc3cnc[nH]3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C19H22F3N3OS.C18H16F3N3O2S.C16H14F3N3O2S.C16H18F3N3OS.C15H14F3N5OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14;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;1-9-3-4-10(24-9)8-20-15(23)13-6-5-12(25-13)11-7-14(16(17,18)19)22(2)21-11;1-10-5-7-22(8-6-10)15(23)13-4-3-12(24-13)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/h3,9-10,12-13H,1,4-8,11H2,2H3;2-8,11H,9-10H2,1H3,(H,22,25);3-7H,8H2,1-2H3,(H,20,23);3-4,9-10H,5-8H2,1-2H3;2-3,6-8H,4-5H2,1H3,(H,19,21)(H,20,24) |
| InChIKey | VLPQBFPRTUDTRS-UHFFFAOYSA-N |
| XLogP | 20.01 |
| TPSA | 268.07 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 128 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1889.01 |
| LogP ≤ 5 | 20.01 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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