2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

C17H21NO2S — CID 45154352

IUPAC2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(C)c1cccs1
InChIInChI=1S/C17H21NO2S/c1-12(2)14-7-4-5-8-15(14)20-11-17(19)18-13(3)16-9-6-10-21-16/h4-10,12-13H,11H2,1-3H3,(H,18,19)
InChIKeyUZCZZMODEFTARD-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.13
Rot. Bonds6

About 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 45154352) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID45154352
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NC(C)c1cccs1
InChIInChI=1S/C17H21NO2S/c1-12(2)14-7-4-5-8-15(14)20-11-17(19)18-13(3)16-9-6-10-21-16/h4-10,12-13H,11H2,1-3H3,(H,18,19)
InChIKeyUZCZZMODEFTARD-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
N-(1,3-dihydroxypropan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 65315716
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 8752279
N-[(1R)-1-thiophen-2-ylethyl]-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
CID 97089284

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (CID 45154352) is 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is CC(C)c1ccccc1OCC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is UZCZZMODEFTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(2)14-7-4-5-8-15(14)20-11-17(19)18-13(3)16-9-6-10-21-16/h4-10,12-13H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 303.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 45154352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).