2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide

C16H17NO3S — CID 57401768

IUPAC2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide
SMILESCOc1ccccc1-c1ccccc1CS(=O)CC(N)=O
InChIInChI=1S/C16H17NO3S/c1-20-15-9-5-4-8-14(15)13-7-3-2-6-12(13)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyFWAQFGWLUBKPMY-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.10
Rot. Bonds6

About 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide

2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 57401768) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide
PubChem CID57401768
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide
SMILESCOc1ccccc1-c1ccccc1CS(=O)CC(N)=O
InChIInChI=1S/C16H17NO3S/c1-20-15-9-5-4-8-14(15)13-7-3-2-6-12(13)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)
InChIKeyFWAQFGWLUBKPMY-UHFFFAOYSA-N
XLogP2.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide (CID 57401768) is 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide is COc1ccccc1-c1ccccc1CS(=O)CC(N)=O.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is FWAQFGWLUBKPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-15-9-5-4-8-14(15)13-7-3-2-6-12(13)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18).
What are the key properties of 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide?
2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 57401768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).