2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide

C16H24N2OS — CID 106011392

IUPAC2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C16H24N2OS/c1-4-9-16(12-17,10-5-2)15(19)18-11-14-8-7-13(6-3)20-14/h7-8H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyJQTOXSAAQIPHAM-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.04
Rot. Bonds8

About 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide

2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide (PubChem CID 106011392) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
PubChem CID106011392
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1ccc(CC)s1
InChIInChI=1S/C16H24N2OS/c1-4-9-16(12-17,10-5-2)15(19)18-11-14-8-7-13(6-3)20-14/h7-8H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyJQTOXSAAQIPHAM-UHFFFAOYSA-N
XLogP4.04
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119727869
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]pentanamide
CID 114137027
2-cyano-N-[(2,4-difluorophenyl)methyl]-2-propylpentanamide
CID 62228143
2-cyano-N-[(2,5-difluorophenyl)methyl]-2-propylpentanamide
CID 63793595
2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide
CID 62312629
2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
CID 62991409
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
CID 115990104
1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 103752414
(5-ethylthiophen-2-yl)methylcyanamide
CID 106011012
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide (CID 106011392) is 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCc1ccc(CC)s1.
What is the InChIKey of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide?
The InChIKey is JQTOXSAAQIPHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-9-16(12-17,10-5-2)15(19)18-11-14-8-7-13(6-3)20-14/h7-8H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide?
2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide has a molecular weight of 292.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(5-ethylthiophen-2-yl)methyl]-2-propylpentanamide is sourced from PubChem (CID 106011392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).