(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide

C11H15NOS — CID 2313985

IUPAC(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+
InChIKeyRYIFJSIMZYLDPS-BQYQJAHWSA-N
MW209.31 g/mol
LogP2.63
Rot. Bonds4

About (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide

(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 2313985) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID2313985
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cccs1
InChIInChI=1S/C11H15NOS/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+
InChIKeyRYIFJSIMZYLDPS-BQYQJAHWSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(thiophen-2-yl)acrylamide
CID 2083679
(E)-N-tert-butyl-3-thiophen-2-ylprop-2-enamide
CID 2405120
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
CID 11821786
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
Cyto9G3
CID 2732031
(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
CID 14776997
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
(2E)-N-cyclopentyl-3-(2-thienyl)prop-2-enamide
CID 2164351
(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
(2E,4E,6E)-N-Isopentyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 72696080
(E)-N-heptan-4-yl-3-thiophen-2-ylprop-2-enamide
CID 57527881

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide (CID 2313985) is (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide is CCN(CC)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RYIFJSIMZYLDPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H15NOS/c1-3-12(4-2)11(13)8-7-10-6-5-9-14-10/h5-9H,3-4H2,1-2H3/b8-7+.
What are the key properties of (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide?
(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 209.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 2313985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).