2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide

C11H16N2O3S — CID 110470517

IUPAC2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-12-8-11(14)13-7-9-5-3-4-6-10(9)17(2,15)16/h3-6,12H,7-8H2,1-2H3,(H,13,14)
InChIKeyDVOYHZODGIPLNE-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.07
Rot. Bonds5

About 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide

2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide (PubChem CID 110470517) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
PubChem CID110470517
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
SMILESCNCC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-12-8-11(14)13-7-9-5-3-4-6-10(9)17(2,15)16/h3-6,12H,7-8H2,1-2H3,(H,13,14)
InChIKeyDVOYHZODGIPLNE-UHFFFAOYSA-N
XLogP-0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[2-(2-methylsulfonylphenyl)ethyl]acetamide
CID 110479076
2-methoxy-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470575
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
N-[[2-(2-methoxyethylamino)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120704967
N-(2,3-dimethylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439313
N-(4-acetylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439305
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
CID 22304575

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide (CID 110470517) is 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide is CNCC(=O)NCc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is DVOYHZODGIPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-12-8-11(14)13-7-9-5-3-4-6-10(9)17(2,15)16/h3-6,12H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide?
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 110470517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).