Ethyl 2-amino-4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-3-thiophenecarboxylate
Basic information
- CAS
324568-52-7- Standard SMILES
CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2C)c1C- InChIKey
PGVIRPTYJZFNOW-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10381361
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-3-thiophenecarboxylate
- IUPAC
- ethyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
- English name
- 2-Amino-4-methyl-5-o-tolylcarbamoyl-thiophene-3-carboxylic acid ethyl ester
- Molecular formula
- C16H18N2O3S
- Molecular weight
- 318.39
Names & synonyms
324568-52-7Ethyl 2-amino-4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-3-thiophenecarboxylateEthyl 2-amino-4-methyl-5-(((2-methylphenyl)amino)carbonyl)-3-thiophenecarboxylateRefChem:342625ethyl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylateEthyl 2-amino-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylateMFCD01151501Ethyl 2-amino-4-methyl-5-([(2-methylphenyl)amino]carbonyl)thiophene-3-carboxylateETHYL 2-AMINO-4-METHYL-5-{[(2-METHYLPHENYL)AMINO]-CARBONYL}THIOPHENE-3-CARBOXYLATEethyl 2-amino-4-methyl-5-{[(2-methylphenyl)amino]carbonyl}thiophene-3-carboxylateethyl 2-amino-4-methyl-5-(2-toluidinocarbonyl)-3-thiophenecarboxylateETHYL 2-AMINO-4-METHYL-5-[[(2-METHYLPHENYL)AMINO]CARBONYL]THIOPHENE-3-CARBOXYLATE
Show more names
AURORA 21583BAS 01404217ZINC00151064AG-690/11662085OTAVA-BB BB70163908282-Amino-4-methyl-5-o-tolylcarbamoyl-thiophene-3-carboxylic acid ethyl ester
ethyl 2-amino-4-methyl-5-[N-(2-methylphenyl)carbamoyl]thiophene-3-carboxylateOprea1_026212Oprea1_318648DTXSID901132433ALBB-001646BBL009356SBB016133STK249912
Database identifiers
- CAS
324568-52-7- PubChem CID
- 735013
- DTXSID
DTXSID901132433
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 433.8 · 433.8±45.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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