1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one

C20H19NO4S — CID 22050320

IUPAC1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESCS(=O)(=O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-26(23,24)19-9-7-16(8-10-19)14-21-12-11-18(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
InChIKeyJLWXGUHCQXVJLT-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.88
Rot. Bonds6

About 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one

1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one (PubChem CID 22050320) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one
PubChem CID22050320
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one
SMILESCS(=O)(=O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-26(23,24)19-9-7-16(8-10-19)14-21-12-11-18(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
InChIKeyJLWXGUHCQXVJLT-UHFFFAOYSA-N
XLogP2.88
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one (CID 22050320) is 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one is CS(=O)(=O)c1ccc(Cn2ccc(OCc3ccccc3)cc2=O)cc1.
What is the InChIKey of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is JLWXGUHCQXVJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-26(23,24)19-9-7-16(8-10-19)14-21-12-11-18(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one?
1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 369.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylphenyl)methyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 22050320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).