N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide

C19H24N2O5S — CID 118021791

IUPACN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)cn(C)c1=O
InChIInChI=1S/C19H24N2O5S/c1-13-10-14(12-21(2)19(13)22)17-11-15(20-27(3,23)24)4-5-18(17)26-16-6-8-25-9-7-16/h4-5,10-12,16,20H,6-9H2,1-3H3
InChIKeyHRMPOYZNAUWFGC-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.29
Rot. Bonds5

About N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide

N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide (PubChem CID 118021791) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide
PubChem CID118021791
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)cn(C)c1=O
InChIInChI=1S/C19H24N2O5S/c1-13-10-14(12-21(2)19(13)22)17-11-15(20-27(3,23)24)4-5-18(17)26-16-6-8-25-9-7-16/h4-5,10-12,16,20H,6-9H2,1-3H3
InChIKeyHRMPOYZNAUWFGC-UHFFFAOYSA-N
XLogP2.29
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide (CID 118021791) is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)cn(C)c1=O.
What is the InChIKey of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide?
The InChIKey is HRMPOYZNAUWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13-10-14(12-21(2)19(13)22)17-11-15(20-27(3,23)24)4-5-18(17)26-16-6-8-25-9-7-16/h4-5,10-12,16,20H,6-9H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide?
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide is sourced from PubChem (CID 118021791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).