N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide

C16H20N2O4S — CID 51174585

IUPACN-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCS(=O)(=O)c1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-23(20,21)14-7-5-13(6-8-14)22-11-15(19)18-16(12-17)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyMGERPVRZKOGCIN-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.81
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide

N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 51174585) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID51174585
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCS(=O)(=O)c1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-23(20,21)14-7-5-13(6-8-14)22-11-15(19)18-16(12-17)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyMGERPVRZKOGCIN-UHFFFAOYSA-N
XLogP1.81
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
N-(1-cyanocyclopentyl)-4-methylsulfonylbenzamide
CID 60665986
2-[4-(4-tert-butyl-1,3-thiazol-2-yl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 8552136
N-(1-cyanocyclopentyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 86913662
N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7561018
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194275
N-[4-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 4782860
2-[3-(aminomethyl)phenoxy]-N-(1-cyanocyclohexyl)acetamide
CID 106485095
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147332
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844423
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514652

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide (CID 51174585) is N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide is CS(=O)(=O)c1ccc(OCC(=O)NC2(C#N)CCCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is MGERPVRZKOGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-23(20,21)14-7-5-13(6-8-14)22-11-15(19)18-16(12-17)9-3-2-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide?
N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 51174585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).