N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

C15H17NO2S — CID 885121

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-18-13-6-4-12(5-7-13)8-9-16-15(17)11-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyQPCFQPUZPYHRNY-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 885121) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID885121
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H17NO2S/c1-18-13-6-4-12(5-7-13)8-9-16-15(17)11-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyQPCFQPUZPYHRNY-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 885121) is N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is COc1ccc(CCNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is QPCFQPUZPYHRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-13-6-4-12(5-7-13)8-9-16-15(17)11-14-3-2-10-19-14/h2-7,10H,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 275.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 885121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).