2-cyano-N-thiophen-2-ylacetamide

C7H6N2OS — CID 115172853

IUPAC2-cyano-N-thiophen-2-ylacetamide
SMILESN#CCC(=O)Nc1cccs1
InChIInChI=1S/C7H6N2OS/c8-4-3-6(10)9-7-2-1-5-11-7/h1-2,5H,3H2,(H,9,10)
InChIKeyNEZSTTDKRHIBLS-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.60
Rot. Bonds2

About 2-cyano-N-thiophen-2-ylacetamide

2-cyano-N-thiophen-2-ylacetamide (PubChem CID 115172853) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-cyano-N-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-cyano-N-thiophen-2-ylacetamide
PubChem CID115172853
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name2-cyano-N-thiophen-2-ylacetamide
SMILESN#CCC(=O)Nc1cccs1
InChIInChI=1S/C7H6N2OS/c8-4-3-6(10)9-7-2-1-5-11-7/h1-2,5H,3H2,(H,9,10)
InChIKeyNEZSTTDKRHIBLS-UHFFFAOYSA-N
XLogP1.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Acetamido)thiophene
CID 83087
N-(5-acetamidothiophen-2-yl)acetamide
CID 785593
3-acetylamino-N-2-thienylpropanamide
CID 139591621
N-(3-cyanothiophen-2-yl)acetamide
CID 676450
N-(3-Fluoro-2-thienyl)acetamide
CID 10630786
2,2,2-trifluoro-N-(2-thienyl)acetamide
CID 85637820
N-(3-cyanothiophen-2-yl)cyclopropanecarboxamide
CID 2137671
N-(3-cyanothiophen-2-yl)-2,2-dimethylpropanamide
CID 2137674
N-(3-cyanothiophen-2-yl)butanamide
CID 2137681
Thienylurea
CID 18967935
2-Chloro-N-(thiophen-2-yl)acetamide
CID 21274756
Glyoxylylaminothiophene
CID 22166389

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-thiophen-2-ylacetamide?
The IUPAC name of 2-cyano-N-thiophen-2-ylacetamide (CID 115172853) is 2-cyano-N-thiophen-2-ylacetamide.
What is the SMILES notation for 2-cyano-N-thiophen-2-ylacetamide?
The canonical SMILES for 2-cyano-N-thiophen-2-ylacetamide is N#CCC(=O)Nc1cccs1.
What is the InChIKey of 2-cyano-N-thiophen-2-ylacetamide?
The InChIKey is NEZSTTDKRHIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c8-4-3-6(10)9-7-2-1-5-11-7/h1-2,5H,3H2,(H,9,10).
What are the key properties of 2-cyano-N-thiophen-2-ylacetamide?
2-cyano-N-thiophen-2-ylacetamide has a molecular weight of 166.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-thiophen-2-ylacetamide is sourced from PubChem (CID 115172853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).