Diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Basic information
- CAS
300826-15-7- Standard SMILES
CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C(=O)OCC)c1C- InChIKey
UIJDJFNJENINPO-UHFFFAOYSA-N- Molecular formula
- C19H21NO6S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.10895856
Names & identifiers
- Preferred name
- Diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
- IUPAC
- diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
- English name
- Diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
- Molecular formula
- C19H21NO6S
- Molecular weight
- 391.44
Names & synonyms
300826-15-72,4-DIETHYL 5-(4-METHOXYBENZAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATEdiethyl 5-(4-methoxybenzamido)-3-methylthiophene-2,4-dicarboxylateCBMicro_010147Oprea1_198598Oprea1_873650SMSF0012141AKOS001596994diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylateCB13052BIM-0010098.P001ST50183476
Show more names
2,4-Thiophenedicarboxylic acid, 5-[(4-methoxybenzoyl)amino]-3-methyl-, 2,4-diethyl ester
SR-01000404762SR-01000404762-1F0359-0005DIETHYL 5-((4-METHOXYBENZOYL)AMINO)-3-METHYL-2,4-THIOPHENEDICARBOXYLATEethyl 5-(ethoxycarbonyl)-2-[(4-methoxyphenyl)carbonylamino]-4-methylthiophene- 3-carboxylate
Database identifiers
- CAS
300826-15-7- PubChem CID
- 986299
- EC Number
- 168-781-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 467.8 · 467.8±45.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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