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

C9H9NO2S — CID 23347790

IUPACN-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide
SMILESO=CNC1CCC(=O)c2sccc21
InChIInChI=1S/C9H9NO2S/c11-5-10-7-1-2-8(12)9-6(7)3-4-13-9/h3-5,7H,1-2H2,(H,10,11)
InChIKeyOVYSXAZBCBIOSB-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.51
Rot. Bonds2

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

N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide (PubChem CID 23347790) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide.

Molecular Properties

Compound NameN-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide
PubChem CID23347790
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC NameN-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide
SMILESO=CNC1CCC(=O)c2sccc21
InChIInChI=1S/C9H9NO2S/c11-5-10-7-1-2-8(12)9-6(7)3-4-13-9/h3-5,7H,1-2H2,(H,10,11)
InChIKeyOVYSXAZBCBIOSB-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide?
The IUPAC name of N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide (CID 23347790) is N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide.
What is the SMILES notation for N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide?
The canonical SMILES for N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide is O=CNC1CCC(=O)c2sccc21.
What is the InChIKey of N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide?
The InChIKey is OVYSXAZBCBIOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-5-10-7-1-2-8(12)9-6(7)3-4-13-9/h3-5,7H,1-2H2,(H,10,11).
What are the key properties of N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide?
N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide has a molecular weight of 195.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5,6-dihydro-4H-1-benzothiophen-4-yl)formamide is sourced from PubChem (CID 23347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).