N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide

C16H18N2O3S — CID 23746050

IUPACN-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccn2)c(OC)c1
InChIInChI=1S/C16H18N2O3S/c1-20-12-6-7-13(14(11-12)21-2)18-15(19)8-10-22-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyBZFWXGJSMITHKK-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.22
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide

N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 23746050) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID23746050
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2ccccn2)c(OC)c1
InChIInChI=1S/C16H18N2O3S/c1-20-12-6-7-13(14(11-12)21-2)18-15(19)8-10-22-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyBZFWXGJSMITHKK-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
N-(2,4-dimethoxyphenyl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 39766635
N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 23945420
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43300904
N-(2,4-dimethoxyphenyl)-3-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)propanamide
CID 23861396
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
4-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-3-phenyloxadiazol-3-ium-5-olate
CID 53293567
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2,4-dimethoxyphenyl)propanamide
CID 1406234
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 23746050) is N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide is COc1ccc(NC(=O)CCSc2ccccn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is BZFWXGJSMITHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-12-6-7-13(14(11-12)21-2)18-15(19)8-10-22-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 23746050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).