N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C16H19NO2S — CID 67510929

IUPACN-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C16H19NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-10H,3,11-12H2,1-2H3
InChIKeyAEAKWVXNCKCNRC-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67510929) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67510929
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1cccc(C)c1
InChIInChI=1S/C16H19NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-10H,3,11-12H2,1-2H3
InChIKeyAEAKWVXNCKCNRC-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-6,6-dimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine;hydrochloride
CID 9869566
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516707
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
FR194738 free base
CID 9803248
(E)-N-ethyl-6,6-dimethyl-N-[[3-[2-(thiophen-3-ylmethoxy)ethoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
CID 19917087
(E)-N,6,6-trimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
CID 44372212
(E)-N-ethyl-6,6-dimethyl-N-[[3-[2-prop-2-enyl-2-(thiophen-3-ylmethoxy)pent-4-enoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
CID 44372213
(E)-N-ethyl-N-[[3-[2-ethyl-2-(thiophen-3-ylmethoxy)butoxy]phenyl]methyl]-6,6-dimethylhept-2-en-4-yn-1-amine
CID 44372245
(E)-6,6-dimethyl-N-[[3-[2-methyl-2-(thiophen-3-ylmethoxy)propoxy]phenyl]methyl]-N-propylhept-2-en-4-yn-1-amine
CID 44372246
RU-Ski 43
CID 46006640
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 67510513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 67510929) is N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AEAKWVXNCKCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-17(11-15-8-5-9-20-15)16(18)12-19-14-7-4-6-13(2)10-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67510929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).