Basic information
- Standard SMILES
CC1(C)Cc2c(Oc3ccc(S(C)(=O)=O)cc3)cc(C(=O)Nc3ccc(C(N)=O)cn3)cc2O1- InChIKey
NDPUHOQQXMMVRF-UHFFFAOYSA-N- Molecular formula
- C24H23N3O6S
- Average molar mass
- 481.5 g/mol
Names & identifiers
- Preferred name
- 6-{[4-(4-Methanesulfonyl-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carbonyl]-amino}-nicotinamide
- IUPAC
- 6-[[2,2-dimethyl-4-(4-methylsulfonylphenoxy)-3H-1-benzofuran-6-carbonyl]amino]pyridine-3-carboxamide
Names & synonyms
SCHEMBL644817NDPUHOQQXMMVRF-UHFFFAOYSA-N6-{[4-(4-Methanesulfonyl-phenoxy)-2,2-dimethyl-2,3-dihydro-benzofuran-6-carbonyl]-amino}-nicotinamide
Database identifiers
- PubChem CID
- 59560464
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 864
Related reactions
2 records
Compound notes
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