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Basic information
- Standard SMILES
CC(=O)OCCc1sc(S(=O)(=O)NC(=O)Nc2cc(C(F)(F)F)cc(C)n2)cc1C- InChIKey
RDPIGKWQPAYCNH-UHFFFAOYSA-N- Molecular formula
- C17H18F3N3O5S2
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.06399752
Names & identifiers
- Preferred name
- 2-{3-Methyl-5-[({[6-methyl-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}amino)sulfonyl]-2-thienyl}ethyl acetate
- IUPAC
- 2-[3-methyl-5-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]carbamoylsulfamoyl]thiophen-2-yl]ethyl acetate
Names & synonyms
CHEMBL17785592-{3-methyl-5-[({[6-methyl-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}amino)sulfonyl]-2-thienyl}ethyl acetateSCHEMBL2087290BDBM503445822-(3-methyl-5-(N-(6-methyl-4-(trifluoromethyl)pyridin-2-ylcarbamoyl)sulfamoyl)thiophen-2-yl)ethyl acetate
Database identifiers
- PubChem CID
- 42628889
- ChEMBL
CHEMBL1778559
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 729
Related reactions
3 records
Compound notes
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