Basic information
- Standard SMILES
CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1- InChIKey
CKOMFZUONBRXSO-UHFFFAOYSA-N- Molecular formula
- C21H32N2O5S
- Average molar mass
- 424.6 g/mol
Names & identifiers
- Preferred name
- 2-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
- IUPAC
- ethyl 2-[[5-cyclopropyl-6-(2-methylpropylsulfonyl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
Names & synonyms
CHEMBL3906625SCHEMBL14152496CKOMFZUONBRXSO-UHFFFAOYSA-NBDBM210718US9290451, 3602-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
Database identifiers
- PubChem CID
- 71087758
- ChEMBL
CHEMBL3906625
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Related reactions
3 records
Compound notes
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