Basic information
- Standard SMILES
CC(C)(C)c1ccc(CNC(=O)CCc2ccc(NS(C)(=O)=O)c(F)c2)cc1- InChIKey
UZKMHYWIHBVULY-UHFFFAOYSA-N- Molecular formula
- C21H27FN2O3S
- Average molar mass
- 406.5 g/mol
Names & identifiers
- Preferred name
- N-(4-t-butylbenzyl) 3-(3-fluoro-4-methanesulfonylaminophenyl)propionamide
- IUPAC
- N-[(4-tert-butylphenyl)methyl]-3-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
Names & synonyms
CHEMBL466622SCHEMBL4888448UZKMHYWIHBVULY-UHFFFAOYSA-NBDBM50258803N-(4-t-butylbenzyl) 3-(3-fluoro-4-methanesulfonylaminophenyl)propionamideN-(4-tert-Butylbenzyl)-3-[3-fluoro-4-(methylsulfonamido)phenyl]propanamide
Database identifiers
- PubChem CID
- 44574279
- ChEMBL
CHEMBL466622
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 604
Related reactions
2 records
Compound notes
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