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

C14H19NOS — CID 14776997

IUPAC(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1cccs1
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)/b4-3+,9-5+
InChIKeyKNGBXFMEGLRFHV-PRKJJMSOSA-N
MW249.38 g/mol
LogP3.18
Rot. Bonds6

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

(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide (PubChem CID 14776997) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
PubChem CID14776997
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1cccs1
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)/b4-3+,9-5+
InChIKeyKNGBXFMEGLRFHV-PRKJJMSOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide (CID 14776997) is (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/Cc1cccs1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
The InChIKey is KNGBXFMEGLRFHV-PRKJJMSOSA-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)/b4-3+,9-5+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide?
(2E,4E)-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 (2E,4E)-N-(2-methylpropyl)-6-thiophen-2-ylhexa-2,4-dienamide is sourced from PubChem (CID 14776997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).