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

C16H17NO2S — CID 1234709

IUPAC2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-8-6-12(7-9-14)10-16(18)17-13-4-3-5-15(11-13)20-2/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyZXCXWTFANXRDTI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.60
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1234709) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1234709
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(SC)c2)cc1
InChIInChI=1S/C16H17NO2S/c1-19-14-8-6-12(7-9-14)10-16(18)17-13-4-3-5-15(11-13)20-2/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyZXCXWTFANXRDTI-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide (CID 1234709) is 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is ZXCXWTFANXRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-14-8-6-12(7-9-14)10-16(18)17-13-4-3-5-15(11-13)20-2/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide?
2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1234709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).