2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid

C14H14ClNO2S — CID 63775345

IUPAC2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyVJIAQSVUOWNHIB-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid

2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid (PubChem CID 63775345) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
PubChem CID63775345
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
SMILESO=C(O)CN(CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2S/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18)
InChIKeyVJIAQSVUOWNHIB-UHFFFAOYSA-N
XLogP3.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-thiophen-2-ylethyl)amino]acetic acid
CID 59053390
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
2-[4-chloro-N-[(4-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 79428121
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
2-(4-chloro-N-[3-(methylamino)-3-oxopropyl]anilino)acetic acid
CID 62324660
2-[4-chloro-N-[(3-fluorophenyl)methyl]anilino]acetic acid
CID 60834960
(2S)-2-(4-chlorophenyl)-3-thiophen-2-ylpropanoic acid
CID 42051111

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid (CID 63775345) is 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid is O=C(O)CN(CCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The InChIKey is VJIAQSVUOWNHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-11-3-5-12(6-4-11)16(10-14(17)18)8-7-13-2-1-9-19-13/h1-6,9H,7-8,10H2,(H,17,18).
What are the key properties of 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid has a molecular weight of 295.79 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid is sourced from PubChem (CID 63775345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).