2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid

C13H12ClNO2S — CID 23457167

IUPAC2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
SMILESCc1cccc(Cl)c1Nc1ccsc1CC(=O)O
InChIInChI=1S/C13H12ClNO2S/c1-8-3-2-4-9(14)13(8)15-10-5-6-18-11(10)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeySKEYXHHZIDZLJY-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.08
Rot. Bonds4

About 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid

2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid (PubChem CID 23457167) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
PubChem CID23457167
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid
SMILESCc1cccc(Cl)c1Nc1ccsc1CC(=O)O
InChIInChI=1S/C13H12ClNO2S/c1-8-3-2-4-9(14)13(8)15-10-5-6-18-11(10)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeySKEYXHHZIDZLJY-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
CID 23686411
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
N-[2-[(2-chloro-6-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384810
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-[3-(2,6-dichloroanilino)-4-methylthiophen-2-yl]-2-oxoacetic acid
CID 70573374
2-(2-chloro-6-methylanilino)-4-nitrobenzoic acid
CID 66256865
2-chloro-N-(3-chloro-2-nitrophenyl)-6-methylaniline
CID 113459316

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid (CID 23457167) is 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid is Cc1cccc(Cl)c1Nc1ccsc1CC(=O)O.
What is the InChIKey of 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid?
The InChIKey is SKEYXHHZIDZLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-8-3-2-4-9(14)13(8)15-10-5-6-18-11(10)7-12(16)17/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid?
2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid has a molecular weight of 281.76 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-methylanilino)thiophen-2-yl]acetic acid is sourced from PubChem (CID 23457167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).