(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide

C11H13NOS — CID 147870205

IUPAC(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
SMILESCCNC(=O)/C=C/C=C/c1cccs1
InChIInChI=1S/C11H13NOS/c1-2-12-11(13)8-4-3-6-10-7-5-9-14-10/h3-9H,2H2,1H3,(H,12,13)/b6-3+,8-4+
InChIKeyHYLRGQVPFQFCEJ-PHQNLGIASA-N
MW207.30 g/mol
LogP2.45
Rot. Bonds4

About (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide

(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide (PubChem CID 147870205) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
PubChem CID147870205
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
SMILESCCNC(=O)/C=C/C=C/c1cccs1
InChIInChI=1S/C11H13NOS/c1-2-12-11(13)8-4-3-6-10-7-5-9-14-10/h3-9H,2H2,1H3,(H,12,13)/b6-3+,8-4+
InChIKeyHYLRGQVPFQFCEJ-PHQNLGIASA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.45
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-ethyl-5-thiophen-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide (CID 147870205) is (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide is CCNC(=O)/C=C/C=C/c1cccs1.
What is the InChIKey of (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide?
The InChIKey is HYLRGQVPFQFCEJ-PHQNLGIASA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-12-11(13)8-4-3-6-10-7-5-9-14-10/h3-9H,2H2,1H3,(H,12,13)/b6-3+,8-4+.
What are the key properties of (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide?
(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide has a molecular weight of 207.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 147870205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).