4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

C20H23NO5S — CID 58458108

IUPAC4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCC(=O)C1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C20H23NO5S/c1-14(22)15-3-7-17(8-4-15)26-18-11-12-21(20(23)13-18)16-5-9-19(10-6-16)27(2,24)25/h5-6,9-13,15,17H,3-4,7-8H2,1-2H3
InChIKeyHRUHEFKKDVYQBR-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.77
Rot. Bonds5

About 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one

4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (PubChem CID 58458108) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
PubChem CID58458108
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
SMILESCC(=O)C1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1
InChIInChI=1S/C20H23NO5S/c1-14(22)15-3-7-17(8-4-15)26-18-11-12-21(20(23)13-18)16-5-9-19(10-6-16)27(2,24)25/h5-6,9-13,15,17H,3-4,7-8H2,1-2H3
InChIKeyHRUHEFKKDVYQBR-UHFFFAOYSA-N
XLogP2.77
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The IUPAC name of 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one (CID 58458108) is 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one.
What is the SMILES notation for 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The canonical SMILES for 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is CC(=O)C1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1.
What is the InChIKey of 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
The InChIKey is HRUHEFKKDVYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14(22)15-3-7-17(8-4-15)26-18-11-12-21(20(23)13-18)16-5-9-19(10-6-16)27(2,24)25/h5-6,9-13,15,17H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one?
4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one has a molecular weight of 389.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylcyclohexyl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one is sourced from PubChem (CID 58458108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).