2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

C17H19NO2S — CID 837829

IUPAC2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)20-11-17(19)18-14-5-4-6-15(10-14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIOKLYWJCRWSYGG-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.04
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 837829) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID837829
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)20-11-17(19)18-14-5-4-6-15(10-14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyIOKLYWJCRWSYGG-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 132651398
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
3-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 9402778
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (CID 837829) is 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)COc2ccc(C)cc2C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is IOKLYWJCRWSYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)20-11-17(19)18-14-5-4-6-15(10-14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 837829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).