1-(4-Methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl thiophene-2-carboxylate
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Basic information
- CAS
606114-62-9- Standard SMILES
COc1ccc(C(OC(=O)c2cccs2)C(=O)NCCC(C)C)cc1- InChIKey
ODWXBWPTSSBORZ-UHFFFAOYSA-N- Molecular formula
- C19H23NO4S
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.13477939
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl thiophene-2-carboxylate
- IUPAC
- [1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl] thiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylicacid,1-(4-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethylester(9CI)
- Molecular formula
- C19H23NO4S
- Molecular weight
- 361.46
Names & synonyms
606114-62-91-(4-Methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl thiophene-2-carboxylateDTXSID40390457AKOS000803157AKOS030480494ST50741032(4-METHOXYPHENYL)[(3-METHYLBUTYL)CARBAMOYL]METHYL THIOPHENE-2-CARBOXYLATE2-Thiophenecarboxylic acid, 1-(4-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethyl ester2-Thiophenecarboxylicacid,1-(4-methoxyphenyl)-2-[(3-methylbutyl)amino]-2-oxoethylester(9CI)
Database identifiers
- CAS
606114-62-9- PubChem CID
- 3219065
- DTXSID
DTXSID40390457
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 556.9 · 556.9±50.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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