2-iodo-2-thiophen-2-ylacetamide

C6H6INOS — CID 66740112

IUPAC2-iodo-2-thiophen-2-ylacetamide
SMILESNC(=O)C(I)c1cccs1
InChIInChI=1S/C6H6INOS/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,(H2,8,9)
InChIKeyOKAUISVIYFXPED-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.71
Rot. Bonds2

About 2-iodo-2-thiophen-2-ylacetamide

2-iodo-2-thiophen-2-ylacetamide (PubChem CID 66740112) has the molecular formula C6H6INOS and a molecular weight of 267.09 g/mol. Its IUPAC name is 2-iodo-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-iodo-2-thiophen-2-ylacetamide
PubChem CID66740112
Molecular FormulaC6H6INOS
Molecular Weight267.09 g/mol
Exact Mass266.92
IUPAC Name2-iodo-2-thiophen-2-ylacetamide
SMILESNC(=O)C(I)c1cccs1
InChIInChI=1S/C6H6INOS/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,(H2,8,9)
InChIKeyOKAUISVIYFXPED-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-thiophen-2-ylacetamide?
The IUPAC name of 2-iodo-2-thiophen-2-ylacetamide (CID 66740112) is 2-iodo-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-iodo-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-iodo-2-thiophen-2-ylacetamide is NC(=O)C(I)c1cccs1.
What is the InChIKey of 2-iodo-2-thiophen-2-ylacetamide?
The InChIKey is OKAUISVIYFXPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INOS/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,(H2,8,9).
What are the key properties of 2-iodo-2-thiophen-2-ylacetamide?
2-iodo-2-thiophen-2-ylacetamide has a molecular weight of 267.09 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-thiophen-2-ylacetamide is sourced from PubChem (CID 66740112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).