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

C17H19NO2S — CID 9153894

IUPAC3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)20-12-11-17(19)18-14-7-9-15(21-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUFHCIWRYUCMFBD-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.12
Rot. Bonds6

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

3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 9153894) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID9153894
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)20-12-11-17(19)18-14-7-9-15(21-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyUFHCIWRYUCMFBD-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 9402778
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 42369765
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 26358946

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (CID 9153894) is 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCOc2ccccc2C)cc1.
What is the InChIKey of 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is UFHCIWRYUCMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-5-3-4-6-16(13)20-12-11-17(19)18-14-7-9-15(21-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 301.41 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 9153894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).