3-(3-Benzylureido)thiophene-2-carboxylic acid
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Basic information
- Standard SMILES
O=C(NCc1ccccc1)Nc1ccsc1C(=O)O- InChIKey
KLYCXGDOZPIWQB-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
Names & identifiers
- Preferred name
- 3-(3-Benzylureido)thiophene-2-carboxylic acid
- IUPAC
- 3-(benzylcarbamoylamino)thiophene-2-carboxylic acid
Names & synonyms
3-(3-benzylureido)thiophene-2-carboxylic acidSCHEMBL288676KLYCXGDOZPIWQB-UHFFFAOYSA-N1254587-98-8DB-3784633-[[[(Phenylmethyl)amino]carbonyl]amino]-2-thiophenecarboxylic acid
Database identifiers
- PubChem CID
- 53397490
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
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Related reactions
2 records
Compound notes
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