2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile

C20H16N2OS — CID 58694155

IUPAC2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H16N2OS/c1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19/h4-11H,3H2,1-2H3
InChIKeyWLCKZJBUQKSGAB-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.42
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile

2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 58694155) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID58694155
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H16N2OS/c1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19/h4-11H,3H2,1-2H3
InChIKeyWLCKZJBUQKSGAB-UHFFFAOYSA-N
XLogP5.42
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile (CID 58694155) is 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is WLCKZJBUQKSGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19/h4-11H,3H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile?
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 332.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 58694155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).