N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

C21H18FN3O6S — CID 18560962

IUPACN-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1
InChIInChI=1S/C21H18FN3O6S/c1-14(26)24-32(29,30)17-10-8-16(9-11-17)23-20(27)18-6-4-12-25(21(18)28)31-13-15-5-2-3-7-19(15)22/h2-12H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyYDRSYZNHDVTWSZ-UHFFFAOYSA-N
MW459.46 g/mol
LogP1.69
Rot. Bonds7

About N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (PubChem CID 18560962) has the molecular formula C21H18FN3O6S and a molecular weight of 459.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
PubChem CID18560962
Molecular FormulaC21H18FN3O6S
Molecular Weight459.46 g/mol
Exact Mass459.09
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1
InChIInChI=1S/C21H18FN3O6S/c1-14(26)24-32(29,30)17-10-8-16(9-11-17)23-20(27)18-6-4-12-25(21(18)28)31-13-15-5-2-3-7-19(15)22/h2-12H,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyYDRSYZNHDVTWSZ-UHFFFAOYSA-N
XLogP1.69
TPSA123.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide (CID 18560962) is N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
The InChIKey is YDRSYZNHDVTWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O6S/c1-14(26)24-32(29,30)17-10-8-16(9-11-17)23-20(27)18-6-4-12-25(21(18)28)31-13-15-5-2-3-7-19(15)22/h2-12H,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-1-[(2-fluorophenyl)methoxy]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 18560962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).