2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide

C16H17NO3S — CID 7688925

IUPAC2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H17NO3S/c1-19-12-7-9-13(10-8-12)20-11-16(18)17-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyLCARUBMKJLXUCQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide

2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 7688925) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID7688925
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H17NO3S/c1-19-12-7-9-13(10-8-12)20-11-16(18)17-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyLCARUBMKJLXUCQ-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8905852
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 92649114
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
N-(2-methylsulfanylphenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2236404
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide (CID 7688925) is 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(OCC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is LCARUBMKJLXUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-19-12-7-9-13(10-8-12)20-11-16(18)17-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 7688925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).