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

C16H17NO2S — CID 835998

IUPAC2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C16H17NO2S/c1-12-6-3-4-9-15(12)19-11-16(18)17-13-7-5-8-14(10-13)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyFIOFMDXDBMHMKF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds5

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

2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 835998) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID835998
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2C)c1
InChIInChI=1S/C16H17NO2S/c1-12-6-3-4-9-15(12)19-11-16(18)17-13-7-5-8-14(10-13)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyFIOFMDXDBMHMKF-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

2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
3-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 9402778
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
CID 3306874
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (CID 835998) is 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)COc2ccccc2C)c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is FIOFMDXDBMHMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-6-3-4-9-15(12)19-11-16(18)17-13-7-5-8-14(10-13)20-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
2-(2-methylphenoxy)-N-(3-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-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 835998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).