1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one

C20H19NO4S — CID 68510398

IUPAC1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
SMILESCc1ccc(S(=O)(=O)Cn2cccc(OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-16-9-11-18(12-10-16)26(23,24)15-21-13-5-8-19(20(21)22)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyFLEJRBKXRONXKP-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.17
Rot. Bonds6

About 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one

1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one (PubChem CID 68510398) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
PubChem CID68510398
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one
SMILESCc1ccc(S(=O)(=O)Cn2cccc(OCc3ccccc3)c2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-16-9-11-18(12-10-16)26(23,24)15-21-13-5-8-19(20(21)22)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyFLEJRBKXRONXKP-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetaldehyde
CID 135229192
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
CID 141431918
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
CID 58133164
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
CID 82143396
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
N-[3-[bis[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]amino]propyl]-4-nitro-N-[3-(2-oxo-3-phenylmethoxy-1-pyridinyl)propyl]benzenesulfonamide
CID 52921506

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one (CID 68510398) is 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one is Cc1ccc(S(=O)(=O)Cn2cccc(OCc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one?
The InChIKey is FLEJRBKXRONXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-16-9-11-18(12-10-16)26(23,24)15-21-13-5-8-19(20(21)22)25-14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one?
1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one has a molecular weight of 369.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylmethyl]-3-phenylmethoxypyridin-2-one is sourced from PubChem (CID 68510398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).