2-(1-benzothiophen-5-yl)-2-oxoacetamide

C10H7NO2S — CID 144811555

IUPAC2-(1-benzothiophen-5-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1ccc2sccc2c1
InChIInChI=1S/C10H7NO2S/c11-10(13)9(12)7-1-2-8-6(5-7)3-4-14-8/h1-5H,(H2,11,13)
InChIKeySGFPLIOHPKGQOP-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(1-benzothiophen-5-yl)-2-oxoacetamide

2-(1-benzothiophen-5-yl)-2-oxoacetamide (PubChem CID 144811555) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-yl)-2-oxoacetamide
PubChem CID144811555
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-(1-benzothiophen-5-yl)-2-oxoacetamide
SMILESNC(=O)C(=O)c1ccc2sccc2c1
InChIInChI=1S/C10H7NO2S/c11-10(13)9(12)7-1-2-8-6(5-7)3-4-14-8/h1-5H,(H2,11,13)
InChIKeySGFPLIOHPKGQOP-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-yl)-2-oxoacetamide?
The IUPAC name of 2-(1-benzothiophen-5-yl)-2-oxoacetamide (CID 144811555) is 2-(1-benzothiophen-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1-benzothiophen-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1-benzothiophen-5-yl)-2-oxoacetamide is NC(=O)C(=O)c1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-yl)-2-oxoacetamide?
The InChIKey is SGFPLIOHPKGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c11-10(13)9(12)7-1-2-8-6(5-7)3-4-14-8/h1-5H,(H2,11,13).
What are the key properties of 2-(1-benzothiophen-5-yl)-2-oxoacetamide?
2-(1-benzothiophen-5-yl)-2-oxoacetamide has a molecular weight of 205.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-yl)-2-oxoacetamide is sourced from PubChem (CID 144811555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).