N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide

C9H12N2O3S — CID 178149279

IUPACN-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H12N2O3S/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12/h4-5H,1-3H3,(H,10,11,12)
InChIKeyWIQFXKPNHCVEMI-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.75
Rot. Bonds2

About N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide

N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide (PubChem CID 178149279) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
PubChem CID178149279
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
SMILESCC(=O)Nc1ncc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H12N2O3S/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12/h4-5H,1-3H3,(H,10,11,12)
InChIKeyWIQFXKPNHCVEMI-UHFFFAOYSA-N
XLogP0.75
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide 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

ethane;N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide
CID 178151141
2-acetamido-5-methylsulfonylpyridine-3-carboxylic acid
CID 167732660
N-(2-acetamido-5-methylsulfonyl-3-pyridinyl)-2,2,2-trifluoroacetamide
CID 148921385
N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide
CID 178150584
N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 115910681
ethane;N-(5-methylpyrimidin-4-yl)acetamide
CID 144640649
2-(3,4-dimethylphenyl)-3-methyl-5-methylsulfonylpyridine
CID 123499908
N-ethyl-5-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 82474147
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
CID 163377018
N-(3-chloro-5-methylsulfonyl-2-pyridinyl)hex-5-ynamide
CID 126841148
N-(6-chloro-4-methylpyridazin-3-yl)acetamide
CID 130008091

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The IUPAC name of N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide (CID 178149279) is N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide is CC(=O)Nc1ncc(S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
The InChIKey is WIQFXKPNHCVEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-4-8(15(3,13)14)5-10-9(6)11-7(2)12/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide?
N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide has a molecular weight of 228.27 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-methylsulfonyl-2-pyridinyl)acetamide is sourced from PubChem (CID 178149279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).