2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid

C14H14ClNO2S — CID 55062316

IUPAC2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
SMILESCCc1ccc(C(Nc2ccc(Cl)cc2)C(=O)O)s1
InChIInChI=1S/C14H14ClNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18)
InChIKeyCSGVBVGHIAMEEI-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid

2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid (PubChem CID 55062316) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
PubChem CID55062316
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid
SMILESCCc1ccc(C(Nc2ccc(Cl)cc2)C(=O)O)s1
InChIInChI=1S/C14H14ClNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18)
InChIKeyCSGVBVGHIAMEEI-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic 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

2-(5-ethylthiophen-2-yl)-2-(4-fluoroanilino)acetic acid
CID 62345224
2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetic acid
CID 61346975
2-(5-ethylthiophen-2-yl)-2-(3-fluoroanilino)acetic acid
CID 62346648
ethyl 2-(3-chloroanilino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345223
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
methyl 2-(4-chloroanilino)-2-(5-methylthiophen-2-yl)acetate
CID 61347171
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
2-[(4-chlorophenyl)methyl]-3-(5-ethylthiophen-2-yl)propanoic acid
CID 60793347
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
CID 61335120
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid (CID 55062316) is 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid is CCc1ccc(C(Nc2ccc(Cl)cc2)C(=O)O)s1.
What is the InChIKey of 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid?
The InChIKey is CSGVBVGHIAMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-2-11-7-8-12(19-11)13(14(17)18)16-10-5-3-9(15)4-6-10/h3-8,13,16H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid?
2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid has a molecular weight of 295.79 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(5-ethylthiophen-2-yl)acetic acid is sourced from PubChem (CID 55062316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).