2-(2-cyanophenoxy)-N-methylsulfonylpropanamide

C11H12N2O4S — CID 47232876

IUPAC2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-8(11(14)13-18(2,15)16)17-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyQRFUXYOPXFATPH-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.40
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide

2-(2-cyanophenoxy)-N-methylsulfonylpropanamide (PubChem CID 47232876) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
PubChem CID47232876
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NS(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-8(11(14)13-18(2,15)16)17-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyQRFUXYOPXFATPH-UHFFFAOYSA-N
XLogP0.40
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
(2R)-2-(2-cyanophenoxy)-N-(4-methoxy-3-methylphenyl)sulfonylpropanamide
CID 95176209
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
ethyl N-[[(2S)-2-(2-cyanophenoxy)propanoyl]amino]carbamate
CID 37002364
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
2-(2-cyanophenoxy)-N',N'-diphenylpropanehydrazide
CID 46597620
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
N-(2-amino-2-oxoethoxy)-2-(2-cyanophenoxy)propanamide
CID 112550843
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide (CID 47232876) is 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide is CC(Oc1ccccc1C#N)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide?
The InChIKey is QRFUXYOPXFATPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-8(11(14)13-18(2,15)16)17-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide?
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide has a molecular weight of 268.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-methylsulfonylpropanamide is sourced from PubChem (CID 47232876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).