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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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).