N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide

C14H19NOS — CID 71363133

IUPACN-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCc1cccs1
InChIInChI=1S/C14H19NOS/c1-12(2)11-15-14(16)9-5-3-4-7-13-8-6-10-17-13/h3-6,8-10,12H,7,11H2,1-2H3,(H,15,16)
InChIKeyKNGBXFMEGLRFHV-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds6

About N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide

N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide (PubChem CID 71363133) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
PubChem CID71363133
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCc1cccs1
InChIInChI=1S/C14H19NOS/c1-12(2)11-15-14(16)9-5-3-4-7-13-8-6-10-17-13/h3-6,8-10,12H,7,11H2,1-2H3,(H,15,16)
InChIKeyKNGBXFMEGLRFHV-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The IUPAC name of N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide (CID 71363133) is N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide.
What is the SMILES notation for N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The canonical SMILES for N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide is CC(C)CNC(=O)C=CC=CCc1cccs1.
What is the InChIKey of N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The InChIKey is KNGBXFMEGLRFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-12(2)11-15-14(16)9-5-3-4-7-13-8-6-10-17-13/h3-6,8-10,12H,7,11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide has a molecular weight of 249.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 71363133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).