2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C16H19NO3S — CID 84601120

IUPAC2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(OCC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-19-13-6-8-14(9-7-13)20-12-16(18)17(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3
InChIKeyMBYLFQONQBJRDS-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.18
Rot. Bonds7

About 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 84601120) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID84601120
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCOc1ccc(OCC(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-19-13-6-8-14(9-7-13)20-12-16(18)17(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3
InChIKeyMBYLFQONQBJRDS-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869
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
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 84601120) is 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CCOc1ccc(OCC(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MBYLFQONQBJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-19-13-6-8-14(9-7-13)20-12-16(18)17(2)11-15-5-4-10-21-15/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 305.40 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 84601120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).