N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

C34H35FN2O7S — CID 164607219

About N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide (PubChem CID 164607219) has the molecular formula C34H35FN2O7S and a molecular weight of 634.73 g/mol. Its IUPAC name is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
• PubChem CID: 164607219
• Molecular Formula: C34H35FN2O7S
• Molecular Weight: 634.73 g/mol
• Exact Mass: 634.21
• IUPAC Name: N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1
• InChI: InChI=1S/C34H35FN2O7S/c1-7-45(40,41)36-25-8-9-29(43-32-21(4)14-24(35)15-22(32)5)26(16-25)28-18-37(6)34(39)27-17-30(44-33(27)28)23-12-19(2)31(20(3)13-23)42-11-10-38/h8-9,12-18,36,38H,7,10-11H2,1-6H3
• InChIKey: FMOLFXOGJCZPJG-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 120.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.73
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?

The IUPAC name of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide (CID 164607219) is N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide.

What is the SMILES notation for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?

The canonical SMILES for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cc(C)c(OCCO)c(C)c4)oc23)c1.

What is the InChIKey of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?

The InChIKey is FMOLFXOGJCZPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN2O7S/c1-7-45(40,41)36-25-8-9-29(43-32-21(4)14-24(35)15-22(32)5)26(16-25)28-18-37(6)34(39)27-17-30(44-33(27)28)23-12-19(2)31(20(3)13-23)42-11-10-38/h8-9,12-18,36,38H,7,10-11H2,1-6H3.

What are the key properties of N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide?

N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide has a molecular weight of 634.73 g/mol, XLogP of 6.76, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 164607219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).