2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

C14H12ClNO3S — CID 107096030

IUPAC2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1c(Cl)cccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12ClNO3S/c1-8-9(4-2-5-10(8)15)13(17)16-12(14(18)19)11-6-3-7-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeySNLSTFURYLMNFI-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.27
Rot. Bonds4

About 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid

2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 107096030) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID107096030
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
SMILESCc1c(Cl)cccc1C(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C14H12ClNO3S/c1-8-9(4-2-5-10(8)15)13(17)16-12(14(18)19)11-6-3-7-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19)
InChIKeySNLSTFURYLMNFI-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

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Related Compounds

2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
2-[(2-bromo-3-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284171
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284026
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107013766

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid (CID 107096030) is 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is Cc1c(Cl)cccc1C(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is SNLSTFURYLMNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-8-9(4-2-5-10(8)15)13(17)16-12(14(18)19)11-6-3-7-20-11/h2-7,12H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid?
2-[(3-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-[(3-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 107096030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).