3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide

C16H18N2O2S — CID 112802627

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ncccc2O)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-6-13(10-12(11)2)21-9-7-15(20)18-16-14(19)4-3-8-17-16/h3-6,8,10,19H,7,9H2,1-2H3,(H,17,18,20)
InChIKeyWHKAPGWXJPUCHS-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.52
Rot. Bonds5

About 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide (PubChem CID 112802627) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide
PubChem CID112802627
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide
SMILESCc1ccc(SCCC(=O)Nc2ncccc2O)cc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-6-13(10-12(11)2)21-9-7-15(20)18-16-14(19)4-3-8-17-16/h3-6,8,10,19H,7,9H2,1-2H3,(H,17,18,20)
InChIKeyWHKAPGWXJPUCHS-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide 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-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 94006127
3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 8624193
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119523977
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide (CID 112802627) is 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide is Cc1ccc(SCCC(=O)Nc2ncccc2O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide?
The InChIKey is WHKAPGWXJPUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-5-6-13(10-12(11)2)21-9-7-15(20)18-16-14(19)4-3-8-17-16/h3-6,8,10,19H,7,9H2,1-2H3,(H,17,18,20).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide has a molecular weight of 302.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide is sourced from PubChem (CID 112802627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).