Basic information
- CAS
5762-24-3- Standard SMILES
COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C)c1C- InChIKey
CXCVEMLXJQLQQL-UHFFFAOYSA-N- Molecular formula
- C16H17NO3S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.09291458
Names & identifiers
- Preferred name
- Methyl 4,5-dimethyl-2-(2-phenylacetamido)thiophene-3-carboxylate
- IUPAC
- methyl 4,5-dimethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
Names & synonyms
methyl 4,5-dimethyl-2-(2-phenylacetamido)thiophene-3-carboxylate325697-98-15762-24-3methyl 4,5-dimethyl-2-[(phenylacetyl)amino]-3-thiophenecarboxylateSMR000140708CBMicro_030959methyl 4,5-dimethyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylateOprea1_228893MLS000533270CHEMBL1303470DTXSID90357853HMS2159A07
Show more names
HMS3312M04STK392231AKOS001037112WAY-381924DA-06883BIM-0030946.P001ST50324271Z29254046
Database identifiers
- CAS
5762-24-3- PubChem CID
- 869741
- DTXSID
DTXSID90357853- ChEMBL
CHEMBL1303470
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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