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

C20H26N2O5S — CID 118022078

IUPACN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-7-8-19(27-17-6-5-9-26-13-17)18(11-16)15-10-14(2)20(23)22(3)12-15/h7-8,10-12,17,21H,4-6,9,13H2,1-3H3
InChIKeyINWSGXXRSLUJLS-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.68
Rot. Bonds6

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

N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide (PubChem CID 118022078) 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-3-yloxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
PubChem CID118022078
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-7-8-19(27-17-6-5-9-26-13-17)18(11-16)15-10-14(2)20(23)22(3)12-15/h7-8,10-12,17,21H,4-6,9,13H2,1-3H3
InChIKeyINWSGXXRSLUJLS-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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Related Compounds

N-[3-(4-Methoxy-1-Methyl-6-Oxo-1,6-Dihydropyridin-3-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 72549905
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 90018193
N-(10,12-difluoro-23-methyl-22-oxo-8,19-dioxa-23-azatetracyclo[18.4.0.02,7.09,14]tetracosa-1(24),2(7),3,5,9(14),10,12,20-octaen-4-yl)ethanesulfonamide
CID 118137789
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-6-oxo-4-phenylmethoxy-3-pyridinyl)phenyl]ethanesulfonamide
CID 168290328
N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]ethanesulfonamide
CID 72547793
N-[3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethanesulfonamide
CID 72548029
N-[4-(2,4-difluorophenoxy)-3-[4-(ethylamino)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72548735
N-[4-(2,4-difluorophenoxy)-3-(4-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
CID 72550116
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90016835
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90017113
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-6-oxo-4-(2,2,2-trifluoroethoxy)pyridin-3-yl]phenyl]ethanesulfonamide
CID 90017358
N-[3-(4-ethoxy-1-methyl-6-oxopyridin-3-yl)-4-[4-(trifluoromethoxy)phenoxy]phenyl]ethanesulfonamide
CID 90019075

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide (CID 118022078) is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC2CCCOC2)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-3-yloxy)phenyl]ethanesulfonamide?
The InChIKey is INWSGXXRSLUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-28(24,25)21-16-7-8-19(27-17-6-5-9-26-13-17)18(11-16)15-10-14(2)20(23)22(3)12-15/h7-8,10-12,17,21H,4-6,9,13H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-yloxy)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxan-3-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-3-yloxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 118022078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).