[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
Basic information
- CAS
733043-32-8- Standard SMILES
Cc1ccsc1C(=O)OCC(=O)NCCc1ccccc1- InChIKey
IDMMSKANWIWQOC-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.09291458
Names & identifiers
- Preferred name
- [(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
- IUPAC
- [2-oxo-2-(2-phenylethylamino)ethyl] 3-methylthiophene-2-carboxylate
Names & synonyms
733043-32-8[(2-phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate2-oxo-2-(phenethylamino)ethyl 3-methylthiophene-2-carboxylate[2-oxo-2-(2-phenylethylamino)ethyl] 3-methylthiophene-2-carboxylate2-oxo-2-[(2-phenylethyl)amino]ethyl 3-methylthiophene-2-carboxylatestarbld0001657MLS002249491CHEMBL1718567DTXSID601322867HMS3059I14STL195095AKOS025269706
Show more names
SMR001316922Z19758822F6609-4001
Database identifiers
- CAS
733043-32-8- PubChem CID
- 2436450
- DTXSID
DTXSID601322867- ChEMBL
CHEMBL1718567
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility10.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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