4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one

C23H19F2NO6S — CID 118021853

IUPAC4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(OCc3ccccc3OC(F)F)cc(S(C)(=O)=O)c2)c2ccoc2c1=O
InChIInChI=1S/C23H19F2NO6S/c1-26-12-19(18-7-8-30-21(18)22(26)27)15-9-16(11-17(10-15)33(2,28)29)31-13-14-5-3-4-6-20(14)32-23(24)25/h3-12,23H,13H2,1-2H3
InChIKeyMPJXMNGCIROPSS-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.38
Rot. Bonds7

About 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one

4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one (PubChem CID 118021853) has the molecular formula C23H19F2NO6S and a molecular weight of 475.47 g/mol. Its IUPAC name is 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one
PubChem CID118021853
Molecular FormulaC23H19F2NO6S
Molecular Weight475.47 g/mol
Exact Mass475.09
IUPAC Name4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(OCc3ccccc3OC(F)F)cc(S(C)(=O)=O)c2)c2ccoc2c1=O
InChIInChI=1S/C23H19F2NO6S/c1-26-12-19(18-7-8-30-21(18)22(26)27)15-9-16(11-17(10-15)33(2,28)29)31-13-14-5-3-4-6-20(14)32-23(24)25/h3-12,23H,13H2,1-2H3
InChIKeyMPJXMNGCIROPSS-UHFFFAOYSA-N
XLogP4.38
TPSA87.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one (CID 118021853) is 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one is Cn1cc(-c2cc(OCc3ccccc3OC(F)F)cc(S(C)(=O)=O)c2)c2ccoc2c1=O.
What is the InChIKey of 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one?
The InChIKey is MPJXMNGCIROPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO6S/c1-26-12-19(18-7-8-30-21(18)22(26)27)15-9-16(11-17(10-15)33(2,28)29)31-13-14-5-3-4-6-20(14)32-23(24)25/h3-12,23H,13H2,1-2H3.
What are the key properties of 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one?
4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one has a molecular weight of 475.47 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-(difluoromethoxy)phenyl]methoxy]-5-methylsulfonylphenyl]-6-methylfuro[2,3-c]pyridin-7-one is sourced from PubChem (CID 118021853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).