2-cyano-2-ethyl-N-thiophen-3-ylbutanamide

C11H14N2OS — CID 66353300

IUPAC2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ccsc1
InChIInChI=1S/C11H14N2OS/c1-3-11(4-2,8-12)10(14)13-9-5-6-15-7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyUJBNVYOJBZDALD-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.02
Rot. Bonds4

About 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide

2-cyano-2-ethyl-N-thiophen-3-ylbutanamide (PubChem CID 66353300) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
PubChem CID66353300
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ccsc1
InChIInChI=1S/C11H14N2OS/c1-3-11(4-2,8-12)10(14)13-9-5-6-15-7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyUJBNVYOJBZDALD-UHFFFAOYSA-N
XLogP3.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386
2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 62903126
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
N-thiophen-3-ylbutanamide
CID 57133126
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424
2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62843352
2-cyano-2-ethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043546
N-(2-chloro-6-methylphenyl)-2-cyano-2-ethylbutanamide
CID 66254759
3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
CID 66354566
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
CID 55219236
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide?
The IUPAC name of 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide (CID 66353300) is 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide is CCC(C#N)(CC)C(=O)Nc1ccsc1.
What is the InChIKey of 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide?
The InChIKey is UJBNVYOJBZDALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-3-11(4-2,8-12)10(14)13-9-5-6-15-7-9/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide?
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide has a molecular weight of 222.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-thiophen-3-ylbutanamide is sourced from PubChem (CID 66353300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).