N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

C18H20N2O2S — CID 42888884

IUPACN-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCC2CCCO2)n1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-10-17(19-13)20-18(21)15-8-2-3-9-16(15)23-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,19,20,21)
InChIKeyVAQNVNLURLEEIN-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.91
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 42888884) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID42888884
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCC2CCCO2)n1
InChIInChI=1S/C18H20N2O2S/c1-13-6-4-10-17(19-13)20-18(21)15-8-2-3-9-16(15)23-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,19,20,21)
InChIKeyVAQNVNLURLEEIN-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide 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

N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9043774
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(5-fluoro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045083
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-acetyl-1,3-thiazol-2-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 51248248
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733197
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-[4-(butan-2-ylcarbamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 86830268

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 42888884) is N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is Cc1cccc(NC(=O)c2ccccc2SCC2CCCO2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is VAQNVNLURLEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-6-4-10-17(19-13)20-18(21)15-8-2-3-9-16(15)23-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 42888884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).