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

C21H19NO2S — CID 7894372

IUPACN-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c1-25-18-11-7-10-17(14-18)22-21(23)15-24-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyXPQMURWPZMPEMY-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.09
Rot. Bonds6

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

N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 7894372) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
PubChem CID7894372
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
SMILESCSc1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H19NO2S/c1-25-18-11-7-10-17(14-18)22-21(23)15-24-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,23)
InChIKeyXPQMURWPZMPEMY-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 837829
N-(2-methyl-1H-indol-5-yl)-2-(2-phenylphenoxy)acetamide
CID 71897550
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
N-(3-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8893390
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-[2-(4-methoxyphenyl)quinolin-4-yl]oxy-N-(3-methylsulfanylphenyl)acetamide
CID 46298622
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide (CID 7894372) is N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide is CSc1cccc(NC(=O)COc2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is XPQMURWPZMPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-25-18-11-7-10-17(14-18)22-21(23)15-24-20-13-6-5-12-19(20)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide?
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 349.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 7894372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).