N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide

C13H16N2O4S — CID 107468020

IUPACN-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCOc1cccc(C#N)c1NC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H16N2O4S/c1-13(2,20(4,17)18)12(16)15-11-9(8-14)6-5-7-10(11)19-3/h5-7H,1-4H3,(H,15,16)
InChIKeyXWKCEZLAYHCRBY-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.33
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide

N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 107468020) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID107468020
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCOc1cccc(C#N)c1NC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H16N2O4S/c1-13(2,20(4,17)18)12(16)15-11-9(8-14)6-5-7-10(11)19-3/h5-7H,1-4H3,(H,15,16)
InChIKeyXWKCEZLAYHCRBY-UHFFFAOYSA-N
XLogP1.33
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
N-(2-cyano-6-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 107467761
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide (CID 107468020) is N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide is COc1cccc(C#N)c1NC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is XWKCEZLAYHCRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-13(2,20(4,17)18)12(16)15-11-9(8-14)6-5-7-10(11)19-3/h5-7H,1-4H3,(H,15,16).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide?
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 296.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 107468020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).