[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

C19H15NO4S — CID 7887266

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H15NO4S/c1-12(21)14-7-3-4-8-15(14)20-18(22)11-24-19(23)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,20,22)
InChIKeyOJRHCDUESYFQKX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.90
Rot. Bonds5

About [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate

[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate (PubChem CID 7887266) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
PubChem CID7887266
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2s1
InChIInChI=1S/C19H15NO4S/c1-12(21)14-7-3-4-8-15(14)20-18(22)11-24-19(23)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,20,22)
InChIKeyOJRHCDUESYFQKX-UHFFFAOYSA-N
XLogP3.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate 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-(2-acetylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123172
[2-(2-acetylanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35966583
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631928
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7887199
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 46818282
[2-oxo-2-(propan-2-ylamino)ethyl] 1-benzothiophene-2-carboxylate
CID 7887235
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 7489990
[2-(butylamino)-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508158
[2-(2-acetylanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631779
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-benzothiophene-2-carboxylate
CID 7887183
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-benzothiophene-2-carboxylate
CID 7887185
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8631975

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate (CID 7887266) is [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate is CC(=O)c1ccccc1NC(=O)COC(=O)c1cc2ccccc2s1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate?
The InChIKey is OJRHCDUESYFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c1-12(21)14-7-3-4-8-15(14)20-18(22)11-24-19(23)17-10-13-6-2-5-9-16(13)25-17/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate?
[2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 7887266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).