Basic information
- Standard SMILES
CCC(CC)Nc1ccc(C(=O)OC)cc1NC(=O)Cc1cccs1- InChIKey
JWSQFJZCXMPAED-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3S
- Average molar mass
- 360.5 g/mol
Names & identifiers
- Preferred name
- 4-(1-Ethyl-propylamino)-3-(2-thiophen-2-yl-acetylamino)-benzoic acid methyl ester
- IUPAC
- methyl 4-(pentan-3-ylamino)-3-[(2-thiophen-2-ylacetyl)amino]benzoate
Names & synonyms
SCHEMBL15618543JWSQFJZCXMPAED-UHFFFAOYSA-N4-(1-ethyl-propylamino)-3-(2-thiophen-2-yl-acetylamino)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 86714404
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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