2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

C16H17NO3S — CID 18170275

IUPAC2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C16H17NO3S/c1-11(15-7-4-8-21-15)17-16(19)10-20-14-6-3-5-13(9-14)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyCEGORSYLSXAWCN-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.21
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 18170275) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID18170275
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C16H17NO3S/c1-11(15-7-4-8-21-15)17-16(19)10-20-14-6-3-5-13(9-14)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyCEGORSYLSXAWCN-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
2-(3-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60626470
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 99823338
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (CID 18170275) is 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is CC(=O)c1cccc(OCC(=O)NC(C)c2cccs2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is CEGORSYLSXAWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11(15-7-4-8-21-15)17-16(19)10-20-14-6-3-5-13(9-14)12(2)18/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 18170275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).