N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide

C11H15NO3S — CID 110436884

IUPACN,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
SMILESCN(C)C(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-12(2)11(13)8-9-6-4-5-7-10(9)16(3,14)15/h4-7H,8H2,1-3H3
InChIKeyHROVCVXJKUTQMD-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.72
Rot. Bonds3

About N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide

N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide (PubChem CID 110436884) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
PubChem CID110436884
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
SMILESCN(C)C(=O)Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H15NO3S/c1-12(2)11(13)8-9-6-4-5-7-10(9)16(3,14)15/h4-7H,8H2,1-3H3
InChIKeyHROVCVXJKUTQMD-UHFFFAOYSA-N
XLogP0.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(2-methylsulfonylphenyl)methyl]hydroxylamine
CID 82613603
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-(2-methylsulfonylphenyl)-1-piperidin-4-ylethanone
CID 22248272

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide (CID 110436884) is N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide is CN(C)C(=O)Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide?
The InChIKey is HROVCVXJKUTQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12(2)11(13)8-9-6-4-5-7-10(9)16(3,14)15/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide?
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide has a molecular weight of 241.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110436884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).