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

C17H19NO2S — CID 9153670

IUPAC2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-15(10-13(12)2)20-11-17(19)18-14-5-8-16(21-3)9-6-14/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyUHLOCKQMSBUJNM-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.04
Rot. Bonds5

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

2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 9153670) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID9153670
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-15(10-13(12)2)20-11-17(19)18-14-5-8-16(21-3)9-6-14/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyUHLOCKQMSBUJNM-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

Analyze 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 7925162
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395
N-(2-acetamidoethyl)-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062184

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (CID 9153670) is 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is UHLOCKQMSBUJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-4-7-15(10-13(12)2)20-11-17(19)18-14-5-8-16(21-3)9-6-14/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
2-(3,4-dimethylphenoxy)-N-(4-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-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9153670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).