N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide

C9H9NO2S — CID 10512055

IUPACN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide
SMILESO=CNC1CCc2sccc2C1=O
InChIInChI=1S/C9H9NO2S/c11-5-10-7-1-2-8-6(9(7)12)3-4-13-8/h3-5,7H,1-2H2,(H,10,11)
InChIKeyJQMYBNUSDFISIY-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.99
Rot. Bonds2

About N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide

N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide (PubChem CID 10512055) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide.

Molecular Properties

Compound NameN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide
PubChem CID10512055
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC NameN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide
SMILESO=CNC1CCc2sccc2C1=O
InChIInChI=1S/C9H9NO2S/c11-5-10-7-1-2-8-6(9(7)12)3-4-13-8/h3-5,7H,1-2H2,(H,10,11)
InChIKeyJQMYBNUSDFISIY-UHFFFAOYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide 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 N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide?
The IUPAC name of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide (CID 10512055) is N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide.
What is the SMILES notation for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide?
The canonical SMILES for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide is O=CNC1CCc2sccc2C1=O.
What is the InChIKey of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide?
The InChIKey is JQMYBNUSDFISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-5-10-7-1-2-8-6(9(7)12)3-4-13-8/h3-5,7H,1-2H2,(H,10,11).
What are the key properties of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide?
N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide has a molecular weight of 195.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)formamide is sourced from PubChem (CID 10512055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).