3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid

C14H12ClNO3S — CID 114914845

IUPAC3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-8-7-20-13(14(18)19)12(8)16-11(17)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZTKKCLQLKICJHQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.59
Rot. Bonds4

About 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid

3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914845) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914845
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-8-7-20-13(14(18)19)12(8)16-11(17)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyZTKKCLQLKICJHQ-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid 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

3-[[2-(dimethylamino)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914681
methyl 3-[[2-(4-aminophenyl)acetyl]amino]-4-methylthiophene-2-carboxylate
CID 114914504
3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114914874
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915099
4-methyl-3-[(2-propan-2-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 114914709
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoic acid
CID 893334
3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-methylthiophene-2-carboxylic acid
CID 114914797
4-methyl-3-[(3-methyl-2-propan-2-ylbutanoyl)amino]thiophene-2-carboxylic acid
CID 114282186
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid (CID 114914845) is 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is ZTKKCLQLKICJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-8-7-20-13(14(18)19)12(8)16-11(17)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid?
3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid has a molecular weight of 309.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).