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

C17H18N2O3S — CID 9112666

IUPAC2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-12(20)18-13-6-8-15(9-7-13)22-11-17(21)19-14-4-3-5-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOVFXSQRABIRRAW-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.38
Rot. Bonds6

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

2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 9112666) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID9112666
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-12(20)18-13-6-8-15(9-7-13)22-11-17(21)19-14-4-3-5-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOVFXSQRABIRRAW-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
N-[4-(3-acetamidoanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112988313
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide (CID 9112666) is 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)COc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is OVFXSQRABIRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(20)18-13-6-8-15(9-7-13)22-11-17(21)19-14-4-3-5-16(10-14)23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide?
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9112666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).