N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide

C20H18FN5O4S — CID 156817005

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1
InChIInChI=1S/C20H18FN5O4S/c1-11-3-4-13(9-16(11)21)17-10-23-19(22)18(25-17)20(28)24-14-5-7-15(8-6-14)31(29,30)26-12(2)27/h3-10H,1-2H3,(H2,22,23)(H,24,28)(H,26,27)
InChIKeyHQWAAJYCKKTMHT-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.25
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide (PubChem CID 156817005) has the molecular formula C20H18FN5O4S and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide
PubChem CID156817005
Molecular FormulaC20H18FN5O4S
Molecular Weight443.46 g/mol
Exact Mass443.11
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1
InChIInChI=1S/C20H18FN5O4S/c1-11-3-4-13(9-16(11)21)17-10-23-19(22)18(25-17)20(28)24-14-5-7-15(8-6-14)31(29,30)26-12(2)27/h3-10H,1-2H3,(H2,22,23)(H,24,28)(H,26,27)
InChIKeyHQWAAJYCKKTMHT-UHFFFAOYSA-N
XLogP2.25
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide (CID 156817005) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is HQWAAJYCKKTMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4S/c1-11-3-4-13(9-16(11)21)17-10-23-19(22)18(25-17)20(28)24-14-5-7-15(8-6-14)31(29,30)26-12(2)27/h3-10H,1-2H3,(H2,22,23)(H,24,28)(H,26,27).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(3-fluoro-4-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156817005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).