[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C14H12ClNO3S — CID 2337009

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-11-3-1-2-4-12(11)16-13(17)8-19-14(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,17)
InChIKeyAJRYSFLLMRZGEZ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.13
Rot. Bonds5

About [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2337009) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2337009
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c15-11-3-1-2-4-12(11)16-13(17)8-19-14(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,17)
InChIKeyAJRYSFLLMRZGEZ-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate 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-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
[2-(3-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 1679565
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2342876
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2482985
[2-(2-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724478
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2355399
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2436100
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2464147
2-[(2-Fluorophenyl)amino]-2-oxoethyl thiophen-2-ylacetate
CID 2341435
2-Oxo-2-{[2-(propan-2-yl)phenyl]amino}ethyl thiophen-3-ylacetate
CID 2336996

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2337009) is [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is AJRYSFLLMRZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-11-3-1-2-4-12(11)16-13(17)8-19-14(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 309.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2337009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).