5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C22H16F2N4O5S — CID 19453139

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C22H16F2N4O5S/c23-14-2-8-19(18(24)12-14)32-13-16-5-9-20(33-16)21(29)27-15-3-6-17(7-4-15)34(30,31)28-22-25-10-1-11-26-22/h1-12H,13H2,(H,27,29)(H,25,26,28)
InChIKeyPJXVNNWPWNYEQJ-UHFFFAOYSA-N
MW486.46 g/mol
LogP3.98
Rot. Bonds8

About 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 19453139) has the molecular formula C22H16F2N4O5S and a molecular weight of 486.46 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID19453139
Molecular FormulaC22H16F2N4O5S
Molecular Weight486.46 g/mol
Exact Mass486.08
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C22H16F2N4O5S/c23-14-2-8-19(18(24)12-14)32-13-16-5-9-20(33-16)21(29)27-15-3-6-17(7-4-15)34(30,31)28-22-25-10-1-11-26-22/h1-12H,13H2,(H,27,29)(H,25,26,28)
InChIKeyPJXVNNWPWNYEQJ-UHFFFAOYSA-N
XLogP3.98
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 19453139) is 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is PJXVNNWPWNYEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O5S/c23-14-2-8-19(18(24)12-14)32-13-16-5-9-20(33-16)21(29)27-15-3-6-17(7-4-15)34(30,31)28-22-25-10-1-11-26-22/h1-12H,13H2,(H,27,29)(H,25,26,28).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19453139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).