5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one

C17H19NO4S — CID 118022228

IUPAC5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)ccc1=O
InChIInChI=1S/C17H19NO4S/c1-18-10-13(5-8-17(18)19)15-9-14(23(2,20)21)6-7-16(15)22-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeyPOPZKKRGZXNWKZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.24
Rot. Bonds5

About 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one

5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one (PubChem CID 118022228) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
PubChem CID118022228
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)ccc1=O
InChIInChI=1S/C17H19NO4S/c1-18-10-13(5-8-17(18)19)15-9-14(23(2,20)21)6-7-16(15)22-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3
InChIKeyPOPZKKRGZXNWKZ-UHFFFAOYSA-N
XLogP2.24
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one (CID 118022228) is 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one is Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CC2)ccc1=O.
What is the InChIKey of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one?
The InChIKey is POPZKKRGZXNWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-18-10-13(5-8-17(18)19)15-9-14(23(2,20)21)6-7-16(15)22-11-12-3-4-12/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one?
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one has a molecular weight of 333.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118022228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).