N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide

C20H16F2N4O5S — CID 118021366

IUPACN-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ncc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3occc23)n1
InChIInChI=1S/C20H16F2N4O5S/c1-3-32(28,29)25-20-23-9-16(31-15-5-4-11(21)8-14(15)22)17(24-20)13-10-26(2)19(27)18-12(13)6-7-30-18/h4-10H,3H2,1-2H3,(H,23,24,25)
InChIKeyJQJOTSHUKWESNF-UHFFFAOYSA-N
MW462.43 g/mol
LogP3.42
Rot. Bonds6

About N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide

N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide (PubChem CID 118021366) has the molecular formula C20H16F2N4O5S and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide
PubChem CID118021366
Molecular FormulaC20H16F2N4O5S
Molecular Weight462.43 g/mol
Exact Mass462.08
IUPAC NameN-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ncc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3occc23)n1
InChIInChI=1S/C20H16F2N4O5S/c1-3-32(28,29)25-20-23-9-16(31-15-5-4-11(21)8-14(15)22)17(24-20)13-10-26(2)19(27)18-12(13)6-7-30-18/h4-10H,3H2,1-2H3,(H,23,24,25)
InChIKeyJQJOTSHUKWESNF-UHFFFAOYSA-N
XLogP3.42
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(cyclopropylmethoxy)-4-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)pyrimidin-2-yl]ethanesulfonamide
CID 118022460
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
N-[4-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(2,4-difluorophenoxy)pyrimidin-2-yl]ethanesulfonamide
CID 118021861
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
N-[5-(2,4-difluorophenoxy)-4-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)pyrimidin-2-yl]methanesulfinamide
CID 118027839
4-[5-(2,4-difluorophenoxy)-2-(1,1-dioxothiolan-2-yl)pyrimidin-4-yl]-2-methylisoquinolin-1-one
CID 118327062
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-(3-methyl-1,2-oxazol-5-yl)-7-oxothieno[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 155457764
8-[2-(2,4-difluorophenoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
CID 123982512
N-[4-(2,4-difluorophenoxy)-3-[4-(furan-2-yl)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72551225
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 155457492
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
5-[5-(2,4-difluorophenoxy)-2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
CID 147093073

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide?
The IUPAC name of N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide (CID 118021366) is N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ncc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3occc23)n1.
What is the InChIKey of N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide?
The InChIKey is JQJOTSHUKWESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O5S/c1-3-32(28,29)25-20-23-9-16(31-15-5-4-11(21)8-14(15)22)17(24-20)13-10-26(2)19(27)18-12(13)6-7-30-18/h4-10H,3H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide?
N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide has a molecular weight of 462.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide is sourced from PubChem (CID 118021366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).