1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one

C16H19NO3S — CID 118023108

IUPAC1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one
SMILESCCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-5-12-6-8-14(21(3,19)20)10-15(12)13-7-9-16(18)17(2)11-13/h6-11H,4-5H2,1-3H3
InChIKeySJONSEWAQNJGJM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one

1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one (PubChem CID 118023108) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one
PubChem CID118023108
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one
SMILESCCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1
InChIInChI=1S/C16H19NO3S/c1-4-5-12-6-8-14(21(3,19)20)10-15(12)13-7-9-16(18)17(2)11-13/h6-11H,4-5H2,1-3H3
InChIKeySJONSEWAQNJGJM-UHFFFAOYSA-N
XLogP2.41
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one (CID 118023108) is 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one is CCCc1ccc(S(C)(=O)=O)cc1-c1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one?
The InChIKey is SJONSEWAQNJGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-5-12-6-8-14(21(3,19)20)10-15(12)13-7-9-16(18)17(2)11-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one?
1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylsulfonyl-2-propylphenyl)pyridin-2-one is sourced from PubChem (CID 118023108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).