2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride

C14H15Cl2NO2S — CID 69403131

IUPAC2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride
SMILESCCN(c1ccc(CC(=O)O)c(Cl)c1)c1cccs1.Cl
InChIInChI=1S/C14H14ClNO2S.ClH/c1-2-16(13-4-3-7-19-13)11-6-5-10(8-14(17)18)12(15)9-11;/h3-7,9H,2,8H2,1H3,(H,17,18);1H
InChIKeyYPHJITUVMPPREI-UHFFFAOYSA-N
MW332.25 g/mol
LogP4.61
Rot. Bonds5

About 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride

2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride (PubChem CID 69403131) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride
PubChem CID69403131
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride
SMILESCCN(c1ccc(CC(=O)O)c(Cl)c1)c1cccs1.Cl
InChIInChI=1S/C14H14ClNO2S.ClH/c1-2-16(13-4-3-7-19-13)11-6-5-10(8-14(17)18)12(15)9-11;/h3-7,9H,2,8H2,1H3,(H,17,18);1H
InChIKeyYPHJITUVMPPREI-UHFFFAOYSA-N
XLogP4.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride (CID 69403131) is 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride is CCN(c1ccc(CC(=O)O)c(Cl)c1)c1cccs1.Cl.
What is the InChIKey of 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride?
The InChIKey is YPHJITUVMPPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S.ClH/c1-2-16(13-4-3-7-19-13)11-6-5-10(8-14(17)18)12(15)9-11;/h3-7,9H,2,8H2,1H3,(H,17,18);1H.
What are the key properties of 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride?
2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride has a molecular weight of 332.25 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[ethyl(thiophen-2-yl)amino]phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 69403131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).