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

C16H17NO3S — CID 23089142

IUPAC2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO3S/c17-16(18)12-21(19)11-14-7-5-4-6-13(14)10-20-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18)
InChIKeyPABJFYRCQLCASO-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.00
Rot. Bonds7

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

2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide (PubChem CID 23089142) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide
PubChem CID23089142
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1ccccc1COc1ccccc1
InChIInChI=1S/C16H17NO3S/c17-16(18)12-21(19)11-14-7-5-4-6-13(14)10-20-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18)
InChIKeyPABJFYRCQLCASO-UHFFFAOYSA-N
XLogP2.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide (CID 23089142) is 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1ccccc1COc1ccccc1.
What is the InChIKey of 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is PABJFYRCQLCASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c17-16(18)12-21(19)11-14-7-5-4-6-13(14)10-20-15-8-2-1-3-9-15/h1-9H,10-12H2,(H2,17,18).
What are the key properties of 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide?
2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenoxymethyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 23089142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).