[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C15H14ClNO3S — CID 2715202

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2sccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-9-3-4-11(7-12(9)16)17-13(18)8-20-15(19)14-10(2)5-6-21-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyQOQQVTKMCYAZDZ-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.81
Rot. Bonds4

About [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2715202) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2715202
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2sccc2C)cc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-9-3-4-11(7-12(9)16)17-13(18)8-20-15(19)14-10(2)5-6-21-14/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyQOQQVTKMCYAZDZ-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502300
[2-(3-chloroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502493
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2430405
[2-(3-acetamidoanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7835033
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235492
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502457
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2433030
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837711
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 3-methylthiophene-2-carboxylate
CID 2351108

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2715202) is [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2sccc2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is QOQQVTKMCYAZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-9-3-4-11(7-12(9)16)17-13(18)8-20-15(19)14-10(2)5-6-21-14/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 323.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2715202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).