N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide

C13H17NOS — CID 78802720

IUPACN-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)Cc1cccs1
InChIInChI=1S/C13H17NOS/c1-3-5-6-9-13(15)14(4-2)11-12-8-7-10-16-12/h3,5-10H,4,11H2,1-2H3
InChIKeyWWCPAVXEOKWBPL-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide

N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide (PubChem CID 78802720) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
PubChem CID78802720
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(CC)Cc1cccs1
InChIInChI=1S/C13H17NOS/c1-3-5-6-9-13(15)14(4-2)11-12-8-7-10-16-12/h3,5-10H,4,11H2,1-2H3
InChIKeyWWCPAVXEOKWBPL-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
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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Related Compounds

N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
(E)-N-ethyl-3-(5-iodofuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134014371
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(E)-N-ethyl-3-(4-ethyl-3-hydroxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 122664040
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516260
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67516247
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide (CID 78802720) is N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide.
What is the SMILES notation for N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The canonical SMILES for N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide is CC=CC=CC(=O)N(CC)Cc1cccs1.
What is the InChIKey of N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
The InChIKey is WWCPAVXEOKWBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-5-6-9-13(15)14(4-2)11-12-8-7-10-16-12/h3,5-10H,4,11H2,1-2H3.
What are the key properties of N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide?
N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide has a molecular weight of 235.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide is sourced from PubChem (CID 78802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).