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

C16H17NO2S — CID 9153755

IUPAC2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-12-4-3-5-14(10-12)19-11-16(18)17-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyJVNRFQPWYFTOPG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds5

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

2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 9153755) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID9153755
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-12-4-3-5-14(10-12)19-11-16(18)17-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyJVNRFQPWYFTOPG-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-(4-methylsulfanylphenyl)-2-(3-nitrophenoxy)acetamide
CID 51287734
2-(3-methylphenoxy)-N-[4-(4-nitrophenyl)sulfanylphenyl]acetamide
CID 1317603
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
4-[[2-(3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 26157492
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
1-(4-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 968340
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (CID 9153755) is 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is JVNRFQPWYFTOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-4-3-5-14(10-12)19-11-16(18)17-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9153755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).