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2-cyano-N-thiophen-2-ylbutanamide

C9H10N2OS — CID 115188104

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyano-N-thiophen-2-ylbutanamide
SMILESCCC(C#N)C(=O)Nc1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-7(6-10)9(12)11-8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyHEHHSZJEFCFTPA-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.24
Rot. Bonds3

About 2-cyano-N-thiophen-2-ylbutanamide

2-cyano-N-thiophen-2-ylbutanamide (PubChem CID 115188104) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-cyano-N-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name2-cyano-N-thiophen-2-ylbutanamide
PubChem CID115188104
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-cyano-N-thiophen-2-ylbutanamide
SMILESCCC(C#N)C(=O)Nc1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-7(6-10)9(12)11-8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12)
InChIKeyHEHHSZJEFCFTPA-UHFFFAOYSA-N
XLogP2.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-thiophen-2-ylbutanamide?
The IUPAC name of 2-cyano-N-thiophen-2-ylbutanamide (CID 115188104) is 2-cyano-N-thiophen-2-ylbutanamide.
What is the SMILES notation for 2-cyano-N-thiophen-2-ylbutanamide?
The canonical SMILES for 2-cyano-N-thiophen-2-ylbutanamide is CCC(C#N)C(=O)Nc1cccs1.
What is the InChIKey of 2-cyano-N-thiophen-2-ylbutanamide?
The InChIKey is HEHHSZJEFCFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-7(6-10)9(12)11-8-4-3-5-13-8/h3-5,7H,2H2,1H3,(H,11,12).
What are the key properties of 2-cyano-N-thiophen-2-ylbutanamide?
2-cyano-N-thiophen-2-ylbutanamide has a molecular weight of 194.26 g/mol, XLogP of 2.24, 3 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-ylbutanamide is sourced from PubChem (CID 115188104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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