5-[2-(3-Hydroxy-phenyl)-ethyl-carbamoyl]-3-methyl-thiophene-2-carboxylic acid methyl ester

HCID 68226703
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Basic information

Standard SMILES
COC(=O)c1sc(C(=O)NCCc2cccc(O)c2)cc1C
InChIKey
PLBQUKSADQGCIP-UHFFFAOYSA-N
Molecular formula
C16H17NO4S
Average molar mass
319.4 g/mol
Monoisotopic mass
319.0878292

Names & identifiers

Preferred name
5-[2-(3-Hydroxy-phenyl)-ethyl-carbamoyl]-3-methyl-thiophene-2-carboxylic acid methyl ester
IUPAC
methyl 5-[2-(3-hydroxyphenyl)ethylcarbamoyl]-3-methylthiophene-2-carboxylate

Names & synonyms

SCHEMBL12272244PLBQUKSADQGCIP-UHFFFAOYSA-N5-[2-(3-hydroxy-phenyl)-ethyl-carbamoyl]-3-methyl-thiophene-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
68226703

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
22

Related reactions

4 records
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Compound notes

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