ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate

C15H13NO2S — CID 134860846

IUPACethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1-c1ccc[nH]1
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)14-13(11-7-5-9-16-11)10-6-3-4-8-12(10)19-14/h3-9,16H,2H2,1H3
InChIKeyUXVQLSQFDFAGCP-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.07
Rot. Bonds3

About ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate

ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate (PubChem CID 134860846) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate
PubChem CID134860846
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Nameethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1-c1ccc[nH]1
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)14-13(11-7-5-9-16-11)10-6-3-4-8-12(10)19-14/h3-9,16H,2H2,1H3
InChIKeyUXVQLSQFDFAGCP-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(1H-pyrrol-2-yl)-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

Ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
CID 4713458
[2-(1H-indol-3-yl)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 2472581
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
Methyl 1-(thiophene-2-carbonyl)-1H-indole-3-carboxylate
CID 702931
2-Benzo[b]thiophen-2-yl-nicotinic acid methylester
CID 46228238
Ethyl 3-(3-pyridylamino)benzothiophene-2-carboxylate
CID 11426507
Propyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
CID 15634372
[1-(1H-pyrrol-3-yl)ethylideneamino] 1-benzothiophene-2-carboxylate
CID 2800137
[2-(1H-indol-3-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 2689686
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-methylthiophene-2-carboxylate
CID 4124162
Ethyl 5-(4-methylphenyl)-1-(3-{[(thiophen-2-YL)methyl]carbamoyl}propyl)-1H-pyrrole-3-carboxylate
CID 20969579
methyl 2-(1H-indole-3-carboxamido)thiophene-3-carboxylate
CID 44006880

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate (CID 134860846) is ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate is CCOC(=O)c1sc2ccccc2c1-c1ccc[nH]1.
What is the InChIKey of ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate?
The InChIKey is UXVQLSQFDFAGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-18-15(17)14-13(11-7-5-9-16-11)10-6-3-4-8-12(10)19-14/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate?
ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-pyrrol-2-yl)-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 134860846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).