N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

C24H26F2N2O5S — CID 90016835

IUPACN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)C)c1
InChIInChI=1S/C24H26F2N2O5S/c1-5-34(30,31)27-17-7-9-21(33-22-8-6-16(25)10-20(22)26)18(11-17)19-13-28(4)24(29)12-23(19)32-14-15(2)3/h6-13,15,27H,5,14H2,1-4H3
InChIKeyHWZSIURCAFVDTP-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.92
Rot. Bonds9

About N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide

N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (PubChem CID 90016835) has the molecular formula C24H26F2N2O5S and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
PubChem CID90016835
Molecular FormulaC24H26F2N2O5S
Molecular Weight492.54 g/mol
Exact Mass492.15
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)C)c1
InChIInChI=1S/C24H26F2N2O5S/c1-5-34(30,31)27-17-7-9-21(33-22-8-6-16(25)10-20(22)26)18(11-17)19-13-28(4)24(29)12-23(19)32-14-15(2)3/h6-13,15,27H,5,14H2,1-4H3
InChIKeyHWZSIURCAFVDTP-UHFFFAOYSA-N
XLogP4.92
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.92
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-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)-4-phenoxyphenyl]methanesulfonamide
CID 72549215
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-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-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide (CID 90016835) is N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)cc2OCC(C)C)c1.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
The InChIKey is HWZSIURCAFVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O5S/c1-5-34(30,31)27-17-7-9-21(33-22-8-6-16(25)10-20(22)26)18(11-17)19-13-28(4)24(29)12-23(19)32-14-15(2)3/h6-13,15,27H,5,14H2,1-4H3.
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide?
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide has a molecular weight of 492.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-methylpropoxy)-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 90016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).