Ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
Basic information
- CAS
326914-11-8- Standard SMILES
CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2OC)sc(C)c1C- InChIKey
NBEFXRHIDZUJBH-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2NO4S
- Average molar mass
- 402.3 g/mol
- Monoisotopic mass
- 401.0255346
Names & identifiers
- Preferred name
- Ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
- English name
- ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- Molecular formula
- C17H17Cl2NO4S
- Molecular weight
- 402.29
Names & synonyms
Ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate326914-11-8Ethyl 2-((3,5-dichloro-2-methoxybenzoyl)amino)-4,5-dimethyl-3-thiophenecarboxylateRefChem:342307ETHYL 2-(3,5-DICHLORO-2-METHOXYBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATENBEFXRHIDZUJBH-UHFFFAOYSA-NOprea1_088528Oprea1_449151CBDivE_008483DTXSID301130958STK368915AKOS000520981
Show more names
3-Thiophenecarboxylic acid, 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-, ethyl ester
ethyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylateAG-690/33355043Ethyl 2-(3,5-dichloro-2-methoxybenzamido)-4,5-dimethyl-3-thiophenecarboxylateEthyl 2-[(3,5-dichloro-2-methoxybenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate #ethyl 2-{[(3,5-dichloro-2-methoxyphenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Database identifiers
- CAS
326914-11-8- PubChem CID
- 609074
- DTXSID
DTXSID301130958
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 478.9 · 478.9±45.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.70(Predicted)
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Compound notes
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