2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide

C16H17NO2S — CID 11701971

IUPAC2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCc1ccccc1-c1cccc(CS(=O)CC(N)=O)c1
InChIInChI=1S/C16H17NO2S/c1-12-5-2-3-8-15(12)14-7-4-6-13(9-14)10-20(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyHWYAPJAIKCNSOW-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.40
Rot. Bonds5

About 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide

2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 11701971) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide
PubChem CID11701971
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCc1ccccc1-c1cccc(CS(=O)CC(N)=O)c1
InChIInChI=1S/C16H17NO2S/c1-12-5-2-3-8-15(12)14-7-4-6-13(9-14)10-20(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyHWYAPJAIKCNSOW-UHFFFAOYSA-N
XLogP2.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide (CID 11701971) is 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide is Cc1ccccc1-c1cccc(CS(=O)CC(N)=O)c1.
What is the InChIKey of 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is HWYAPJAIKCNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-5-2-3-8-15(12)14-7-4-6-13(9-14)10-20(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide?
2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11701971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).