N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-ethyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
Basic information
- Standard SMILES
CCc1sc(C(=O)NC(Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1ccnn1C- InChIKey
UMICAXWJCBEPOP-UHFFFAOYSA-N- Molecular formula
- C29H25F3N4O3S
- Average molar mass
- 566.6 g/mol
- Monoisotopic mass
- 566.15994633
Names & identifiers
- Preferred name
- N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-ethyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
- IUPAC
- N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-ethyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
Names & synonyms
UMICAXWJCBEPOP-UHFFFAOYSA-NN-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-ethyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
Database identifiers
- PubChem CID
- 76576564
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 928
Related reactions
1 records
Compound notes
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