2-oxo-N-thiophen-2-ylacetamide

C6H5NO2S — CID 22166389

IUPAC2-oxo-N-thiophen-2-ylacetamide
SMILESO=CC(=O)Nc1cccs1
InChIInChI=1S/C6H5NO2S/c8-4-5(9)7-6-2-1-3-10-6/h1-4H,(H,7,9)
InChIKeyVUKDWILOFNJWPQ-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.89
Rot. Bonds2

About 2-oxo-N-thiophen-2-ylacetamide

2-oxo-N-thiophen-2-ylacetamide (PubChem CID 22166389) has the molecular formula C6H5NO2S and a molecular weight of 155.18 g/mol. Its IUPAC name is 2-oxo-N-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-oxo-N-thiophen-2-ylacetamide
PubChem CID22166389
Molecular FormulaC6H5NO2S
Molecular Weight155.18 g/mol
Exact Mass155.00
IUPAC Name2-oxo-N-thiophen-2-ylacetamide
SMILESO=CC(=O)Nc1cccs1
InChIInChI=1S/C6H5NO2S/c8-4-5(9)7-6-2-1-3-10-6/h1-4H,(H,7,9)
InChIKeyVUKDWILOFNJWPQ-UHFFFAOYSA-N
XLogP0.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-thiophen-2-ylacetamide?
The IUPAC name of 2-oxo-N-thiophen-2-ylacetamide (CID 22166389) is 2-oxo-N-thiophen-2-ylacetamide.
What is the SMILES notation for 2-oxo-N-thiophen-2-ylacetamide?
The canonical SMILES for 2-oxo-N-thiophen-2-ylacetamide is O=CC(=O)Nc1cccs1.
What is the InChIKey of 2-oxo-N-thiophen-2-ylacetamide?
The InChIKey is VUKDWILOFNJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2S/c8-4-5(9)7-6-2-1-3-10-6/h1-4H,(H,7,9).
What are the key properties of 2-oxo-N-thiophen-2-ylacetamide?
2-oxo-N-thiophen-2-ylacetamide has a molecular weight of 155.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-thiophen-2-ylacetamide is sourced from PubChem (CID 22166389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).