3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid

C15H15NO3S — CID 82364863

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1CC(=O)N1CCCC1
InChIInChI=1S/C15H15NO3S/c17-13(16-7-3-4-8-16)9-11-10-5-1-2-6-12(10)20-14(11)15(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeyRAUVSORLDHDNJO-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.76
Rot. Bonds3

About 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid (PubChem CID 82364863) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid
PubChem CID82364863
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1CC(=O)N1CCCC1
InChIInChI=1S/C15H15NO3S/c17-13(16-7-3-4-8-16)9-11-10-5-1-2-6-12(10)20-14(11)15(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19)
InChIKeyRAUVSORLDHDNJO-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic 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

3-prop-2-enyl-1-benzothiophene-2-carboxylic acid
CID 82364874
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
CID 5047819
3-[(2-ethylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43266639
3-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 107853921
3-[2-(butan-2-ylamino)-2-oxoethyl]-1-benzothiophene-2-carboxylic acid
CID 82364868
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
3-[(3-aminopiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 61403458
3-pentyl-1-benzothiophene-2-carboxylic acid
CID 82364876
3-(phenylmethoxymethyl)-1-benzothiophene-2-carboxylic acid
CID 43155275
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
3-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 103253145
3-[(4-methoxypiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43373071

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid (CID 82364863) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2ccccc2c1CC(=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid?
The InChIKey is RAUVSORLDHDNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-13(16-7-3-4-8-16)9-11-10-5-1-2-6-12(10)20-14(11)15(18)19/h1-2,5-6H,3-4,7-9H2,(H,18,19).
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 82364863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).