2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide

C15H17NO2S — CID 60682552

IUPAC2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCOCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-2-18-11-14(17)16-15(13-9-6-10-19-13)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,16,17)
InChIKeySTPUPZXGDJVNDR-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.99
Rot. Bonds6

About 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide

2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 60682552) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID60682552
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
SMILESCCOCC(=O)NC(c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO2S/c1-2-18-11-14(17)16-15(13-9-6-10-19-13)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,16,17)
InChIKeySTPUPZXGDJVNDR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853848
2-(2-ethoxyphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853842
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230022
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (E)-but-2-enoate
CID 9081020
ethyl 2-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylacetate
CID 9286941
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
cis-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230604

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide (CID 60682552) is 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide is CCOCC(=O)NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is STPUPZXGDJVNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-18-11-14(17)16-15(13-9-6-10-19-13)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,16,17).
What are the key properties of 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide?
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 275.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 60682552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).