2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

C14H12ClNO3S — CID 82883193

IUPAC2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12ClNO3S/c1-8-4-5-9(15)7-10(8)13(17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeyTVIYZILPDNIZOG-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.27
Rot. Bonds4

About 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 82883193) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID82883193
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12ClNO3S/c1-8-4-5-9(15)7-10(8)13(17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeyTVIYZILPDNIZOG-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic 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

(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107096030
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284171
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 82883193) is 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is Cc1ccc(Cl)cc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is TVIYZILPDNIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-8-4-5-9(15)7-10(8)13(17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 309.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 82883193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).