3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide

C16H17NO2S — CID 42370206

IUPAC3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C16H17NO2S/c1-20-14-9-7-13(8-10-14)17-16(19)11-6-12-4-2-3-5-15(12)18/h2-5,7-10,18H,6,11H2,1H3,(H,17,19)
InChIKeyMVQIPWVRMWIBRI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.69
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide

3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 42370206) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID42370206
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C16H17NO2S/c1-20-14-9-7-13(8-10-14)17-16(19)11-6-12-4-2-3-5-15(12)18/h2-5,7-10,18H,6,11H2,1H3,(H,17,19)
InChIKeyMVQIPWVRMWIBRI-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 47267332
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
3-(2-hydroxyphenyl)-N-(4-iodophenyl)propanamide
CID 29404443
4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
CID 30909554
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
4-hydroxy-N-(4-methylsulfanylphenyl)butanamide
CID 79204834
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
3-(2-chlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 30940805
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide (CID 42370206) is 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCc2ccccc2O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is MVQIPWVRMWIBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-20-14-9-7-13(8-10-14)17-16(19)11-6-12-4-2-3-5-15(12)18/h2-5,7-10,18H,6,11H2,1H3,(H,17,19).
What are the key properties of 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide?
3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 287.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42370206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).