2-chloro-N-thiophen-2-ylacetamide

C6H6ClNOS — CID 21274756

IUPAC2-chloro-N-thiophen-2-ylacetamide
SMILESO=C(CCl)Nc1cccs1
InChIInChI=1S/C6H6ClNOS/c7-4-5(9)8-6-2-1-3-10-6/h1-3H,4H2,(H,8,9)
InChIKeyPPFXCJSQMOMKTA-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-N-thiophen-2-ylacetamide

2-chloro-N-thiophen-2-ylacetamide (PubChem CID 21274756) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-chloro-N-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-thiophen-2-ylacetamide
PubChem CID21274756
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name2-chloro-N-thiophen-2-ylacetamide
SMILESO=C(CCl)Nc1cccs1
InChIInChI=1S/C6H6ClNOS/c7-4-5(9)8-6-2-1-3-10-6/h1-3H,4H2,(H,8,9)
InChIKeyPPFXCJSQMOMKTA-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-2,2-dimethyl-N-thiophen-2-ylbutanamide
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N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
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CID 162245041
CID 162245041
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
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[2-oxo-2-(thiophen-2-ylamino)ethyl] benzenecarboximidate
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-thiophen-2-ylacetamide?
The IUPAC name of 2-chloro-N-thiophen-2-ylacetamide (CID 21274756) is 2-chloro-N-thiophen-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-thiophen-2-ylacetamide?
The canonical SMILES for 2-chloro-N-thiophen-2-ylacetamide is O=C(CCl)Nc1cccs1.
What is the InChIKey of 2-chloro-N-thiophen-2-ylacetamide?
The InChIKey is PPFXCJSQMOMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c7-4-5(9)8-6-2-1-3-10-6/h1-3H,4H2,(H,8,9).
What are the key properties of 2-chloro-N-thiophen-2-ylacetamide?
2-chloro-N-thiophen-2-ylacetamide has a molecular weight of 175.64 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-thiophen-2-ylacetamide is sourced from PubChem (CID 21274756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).