(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

CID 2083679
CID 2083679
CID 2405120
CID 2405120
CID 896101
CID 896101
CID 11821786
CID 11821786
CID 73349612
CID 73349612
CID 2732031
CID 2732031
CID 14776997
CID 14776997
CID 2413117
CID 2413117
CID 2164351
CID 2164351
CID 2311880
CID 2311880
CID 72696080
CID 72696080
CID 57527881
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).