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

C20H26N2O5S — CID 118021921

IUPACN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-5-6-19(27-17-7-9-26-10-8-17)18(12-16)15-11-14(2)20(23)22(3)13-15/h5-6,11-13,17,21H,4,7-10H2,1-3H3
InChIKeyPJJIDMXLOGDSNQ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.68
Rot. Bonds6

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

N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide (PubChem CID 118021921) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide
PubChem CID118021921
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-5-6-19(27-17-7-9-26-10-8-17)18(12-16)15-11-14(2)20(23)22(3)13-15/h5-6,11-13,17,21H,4,7-10H2,1-3H3
InChIKeyPJJIDMXLOGDSNQ-UHFFFAOYSA-N
XLogP2.68
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.68
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]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide (CID 118021921) is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide?
The InChIKey is PJJIDMXLOGDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-5-6-19(27-17-7-9-26-10-8-17)18(12-16)15-11-14(2)20(23)22(3)13-15/h5-6,11-13,17,21H,4,7-10H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-4-yloxy)phenyl]ethanesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.68, 6 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]ethanesulfonamide is sourced from PubChem (CID 118021921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).