2-cyano-N-thiophen-2-ylbutanamide

C9H10N2OS — CID 115188104

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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Related Compounds

(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-cyano-N-(3-hydroxyphenyl)butanamide
CID 107857394
1-(1-hydroxybutan-2-yl)-3-thiophen-2-ylurea
CID 108889196
2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
2-cyano-N-methyl-N-(2-thiophen-2-ylethyl)butanamide
CID 79494761
ethyl 4-amino-5-oxo-5-(thiophen-2-ylamino)pentanoate
CID 71200803
thiophen-2-ylcarbamic acid
CID 19432670
(2S)-2-cyano-N-(2-ethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 863429
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
N-[(1S)-1-cyanopropyl]thiophene-2-carboxamide
CID 130638279
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

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).