2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione

C17H11NO2S — CID 2732788

IUPAC2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc2ccccc12
InChIInChI=1S/C17H11NO2S/c19-16-13-6-1-2-7-14(13)17(20)18(16)9-11-10-21-15-8-4-3-5-12(11)15/h1-8,10H,9H2
InChIKeyAQEZQOKWNXFAQK-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.70
Rot. Bonds2

About 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione

2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione (PubChem CID 2732788) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione
PubChem CID2732788
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1csc2ccccc12
InChIInChI=1S/C17H11NO2S/c19-16-13-6-1-2-7-14(13)17(20)18(16)9-11-10-21-15-8-4-3-5-12(11)15/h1-8,10H,9H2
InChIKeyAQEZQOKWNXFAQK-UHFFFAOYSA-N
XLogP3.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione 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-3-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione (CID 2732788) is 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione?
The InChIKey is AQEZQOKWNXFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-16-13-6-1-2-7-14(13)17(20)18(16)9-11-10-21-15-8-4-3-5-12(11)15/h1-8,10H,9H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione?
2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione has a molecular weight of 293.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 2732788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).