2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide

C14H20N2O3S — CID 65004141

IUPAC2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1ccccc1C#N)CS(N)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-3-14(4-2,11-20(16,17)18)10-19-13-8-6-5-7-12(13)9-15/h5-8H,3-4,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyBRRYNIOQGBPAKZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.03
Rot. Bonds7

About 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide

2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide (PubChem CID 65004141) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide
PubChem CID65004141
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide
SMILESCCC(CC)(COc1ccccc1C#N)CS(N)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-3-14(4-2,11-20(16,17)18)10-19-13-8-6-5-7-12(13)9-15/h5-8H,3-4,10-11H2,1-2H3,(H2,16,17,18)
InChIKeyBRRYNIOQGBPAKZ-UHFFFAOYSA-N
XLogP2.03
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003700
2-[(2-cyanophenoxy)methyl]butane-1-sulfonamide
CID 64999832
2-[2-(dimethylamino)-2-methylpropoxy]benzonitrile
CID 79680313
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
2-(2-butan-2-ylsulfonylethoxy)benzonitrile
CID 64691004
[1-[(2-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002803
2-(methoxymethoxy)benzonitrile
CID 10352018
2-phenylmethoxybenzonitrile;propane
CID 142369146
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
2-(2-methylpentoxy)benzonitrile
CID 62265352
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The IUPAC name of 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide (CID 65004141) is 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide.
What is the SMILES notation for 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The canonical SMILES for 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide is CCC(CC)(COc1ccccc1C#N)CS(N)(=O)=O.
What is the InChIKey of 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
The InChIKey is BRRYNIOQGBPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-14(4-2,11-20(16,17)18)10-19-13-8-6-5-7-12(13)9-15/h5-8H,3-4,10-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide?
2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenoxy)methyl]-2-ethylbutane-1-sulfonamide is sourced from PubChem (CID 65004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).