3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide

C18H21NO2S — CID 42369765

IUPAC3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-5-14(2)17(12-13)21-11-10-18(20)19-15-6-8-16(22-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyWUXZHLCJVCUCMZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.43
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide

3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 42369765) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
PubChem CID42369765
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
SMILESCSc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H21NO2S/c1-13-4-5-14(2)17(12-13)21-11-10-18(20)19-15-6-8-16(22-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyWUXZHLCJVCUCMZ-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2,3-dihydro-1H-inden-5-yl)-3-(2,5-dimethylphenoxy)propanamide
CID 8933646
N-(3-bromophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 7946465
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
methyl 3-[3-(2,5-dimethylphenoxy)propanoylamino]benzoate
CID 26240710
3-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 9402778
3-(2,5-dimethylphenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 27334719

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide (CID 42369765) is 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is CSc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is WUXZHLCJVCUCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-4-5-14(2)17(12-13)21-11-10-18(20)19-15-6-8-16(22-3)9-7-15/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 42369765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).