2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide

C13H16N2O2S — CID 112698009

IUPAC2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-15(7-8-18-2)13(16)10-17-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3
InChIKeyUSBOUGYJIWZMHR-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.76
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide

2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide (PubChem CID 112698009) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
PubChem CID112698009
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2S/c1-15(7-8-18-2)13(16)10-17-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3
InChIKeyUSBOUGYJIWZMHR-UHFFFAOYSA-N
XLogP1.76
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-(4-cyanophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 63211324
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519
2-(4-cyanophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 47402694
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide (CID 112698009) is 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide is CSCCN(C)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is USBOUGYJIWZMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(7-8-18-2)13(16)10-17-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3.
What are the key properties of 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide?
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 112698009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).