2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide

C13H16N2O3S — CID 115764495

IUPAC2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)COc1ccccc1C#N)S(C)=O
InChIInChI=1S/C13H16N2O3S/c1-10(19(2)17)8-15-13(16)9-18-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyMCMYXKFLOSXDLX-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.82
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide

2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide (PubChem CID 115764495) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
PubChem CID115764495
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
SMILESCC(CNC(=O)COc1ccccc1C#N)S(C)=O
InChIInChI=1S/C13H16N2O3S/c1-10(19(2)17)8-15-13(16)9-18-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16)
InChIKeyMCMYXKFLOSXDLX-UHFFFAOYSA-N
XLogP0.82
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
2-(2-cyanophenoxy)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]acetamide
CID 30901944
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
CID 86858145
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide (CID 115764495) is 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide is CC(CNC(=O)COc1ccccc1C#N)S(C)=O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide?
The InChIKey is MCMYXKFLOSXDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10(19(2)17)8-15-13(16)9-18-12-6-4-3-5-11(12)7-14/h3-6,10H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide?
2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide is sourced from PubChem (CID 115764495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).