2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H19NO2S — CID 78760305

IUPAC2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2cccs2)cc1C
InChIInChI=1S/C16H19NO2S/c1-12-6-7-14(9-13(12)2)19-11-16(18)17(3)10-15-5-4-8-20-15/h4-9H,10-11H2,1-3H3
InChIKeyIGBNMWMGIHLQEL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.40
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78760305) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78760305
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(C)Cc2cccs2)cc1C
InChIInChI=1S/C16H19NO2S/c1-12-6-7-14(9-13(12)2)19-11-16(18)17(3)10-15-5-4-8-20-15/h4-9H,10-11H2,1-3H3
InChIKeyIGBNMWMGIHLQEL-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 51174659
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
2-(3,4-dimethylphenoxy)-1-thiophen-2-ylethanone
CID 43412330
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
N-(2-methoxyphenyl)-3-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide
CID 46603751
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 78760305) is 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(C)Cc2cccs2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IGBNMWMGIHLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-6-7-14(9-13(12)2)19-11-16(18)17(3)10-15-5-4-8-20-15/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78760305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).