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Home Sulfos Benzeneacetamide,α-methyl-4-(2-methylpropyl)-N-(methylsulfonyl)-

Benzeneacetamide,α-methyl-4-(2-methylpropyl)-N-(methylsulfonyl)-

CAS No.:
957407-64-6
Catalog Number:
AG00ILWO
Molecular Formula:
C14H21NO3S
Molecular Weight:
283.3864
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Product Description
Catalog Number:
AG00ILWO
Chemical Name:
Benzeneacetamide,α-methyl-4-(2-methylpropyl)-N-(methylsulfonyl)-
CAS Number:
957407-64-6
Molecular Formula:
C14H21NO3S
Molecular Weight:
283.3864
MDL Number:
MFCD16621248
IUPAC Name:
2-[4-(2-methylpropyl)phenyl]-N-methylsulfonylpropanamide
InChI:
InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChI Key:
KQDRVXQXKZXMHP-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(C(=O)NS(=O)(=O)C)C)C
Properties
Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.124g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.386g/mol
Monoisotopic Mass:
283.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Modified acidic nonsteroidal anti-inflammatory drugs as dual inhibitors of mPGES-1 and 5-LOX. Journal of medicinal chemistry 20121025
Properties