N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide

C13H18N2O3S — CID 79594122

IUPACN-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H18N2O3S/c1-10(2)18-6-7-19(16,17)15-13-8-12(9-14)5-4-11(13)3/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyDFDZVYPAZJOKFY-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.03
Rot. Bonds6

About N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide

N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594122) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79594122
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C13H18N2O3S/c1-10(2)18-6-7-19(16,17)15-13-8-12(9-14)5-4-11(13)3/h4-5,8,10,15H,6-7H2,1-3H3
InChIKeyDFDZVYPAZJOKFY-UHFFFAOYSA-N
XLogP2.03
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-cyano-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842924
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
N-(2-hydroxy-3-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594821
1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
CID 62104261
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
4-methyl-3-(3-methylsulfonylpropylamino)benzonitrile
CID 55158892
N-(2-chloro-4-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 103729090
N-(2-amino-4-hydroxyphenyl)-2-propan-2-yloxyethanesulfonamide
CID 107697822
4-acetyl-3-(3-propan-2-yloxypropylamino)benzonitrile
CID 133465855

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide (CID 79594122) is N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide is Cc1ccc(C#N)cc1NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is DFDZVYPAZJOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(2)18-6-7-19(16,17)15-13-8-12(9-14)5-4-11(13)3/h4-5,8,10,15H,6-7H2,1-3H3.
What are the key properties of N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide?
N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).