N-benzyl-N-ethyl-2-thiophen-2-ylacetamide

C15H17NOS — CID 669914

IUPACN-benzyl-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C15H17NOS/c1-2-16(12-13-7-4-3-5-8-13)15(17)11-14-9-6-10-18-14/h3-10H,2,11-12H2,1H3
InChIKeyJBZSZBFGNMBWAR-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.34
Rot. Bonds5

About N-benzyl-N-ethyl-2-thiophen-2-ylacetamide

N-benzyl-N-ethyl-2-thiophen-2-ylacetamide (PubChem CID 669914) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-thiophen-2-ylacetamide
PubChem CID669914
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-benzyl-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1cccs1
InChIInChI=1S/C15H17NOS/c1-2-16(12-13-7-4-3-5-8-13)15(17)11-14-9-6-10-18-14/h3-10H,2,11-12H2,1H3
InChIKeyJBZSZBFGNMBWAR-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-thiophen-2-ylacetamide (CID 669914) is N-benzyl-N-ethyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-thiophen-2-ylacetamide is CCN(Cc1ccccc1)C(=O)Cc1cccs1.
What is the InChIKey of N-benzyl-N-ethyl-2-thiophen-2-ylacetamide?
The InChIKey is JBZSZBFGNMBWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-16(12-13-7-4-3-5-8-13)15(17)11-14-9-6-10-18-14/h3-10H,2,11-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-thiophen-2-ylacetamide?
N-benzyl-N-ethyl-2-thiophen-2-ylacetamide has a molecular weight of 259.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 669914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).