2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C16H19NO2S — CID 27770102

IUPAC2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCc1cccs1
InChIInChI=1S/C16H19NO2S/c1-12-5-3-6-13(2)16(12)19-11-15(18)17-9-8-14-7-4-10-20-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,18)
InChIKeyCCCBOXUTMDCAIM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.10
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 27770102) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID27770102
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCc1cccs1
InChIInChI=1S/C16H19NO2S/c1-12-5-3-6-13(2)16(12)19-11-15(18)17-9-8-14-7-4-10-20-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,18)
InChIKeyCCCBOXUTMDCAIM-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541512
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-2-nitrobenzoate
CID 8947367
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] naphthalene-1-carboxylate
CID 8936148

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 27770102) is 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is Cc1cccc(C)c1OCC(=O)NCCc1cccs1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CCCBOXUTMDCAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-5-3-6-13(2)16(12)19-11-15(18)17-9-8-14-7-4-10-20-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 27770102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).