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

C20H18N6O5S — CID 156816842

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H18N6O5S/c1-11(27)26-32(30,31)15-8-6-14(7-9-15)24-20(29)17-18(21)23-10-16(25-17)12-2-4-13(5-3-12)19(22)28/h2-10H,1H3,(H2,21,23)(H2,22,28)(H,24,29)(H,26,27)
InChIKeyWJKHIHTXVHWRDB-UHFFFAOYSA-N
MW454.47 g/mol
LogP0.90
Rot. Bonds6

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

N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide (PubChem CID 156816842) has the molecular formula C20H18N6O5S and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide
PubChem CID156816842
Molecular FormulaC20H18N6O5S
Molecular Weight454.47 g/mol
Exact Mass454.11
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H18N6O5S/c1-11(27)26-32(30,31)15-8-6-14(7-9-15)24-20(29)17-18(21)23-10-16(25-17)12-2-4-13(5-3-12)19(22)28/h2-10H,1H3,(H2,21,23)(H2,22,28)(H,24,29)(H,26,27)
InChIKeyWJKHIHTXVHWRDB-UHFFFAOYSA-N
XLogP0.90
TPSA187.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide (CID 156816842) is N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2nc(-c3ccc(C(N)=O)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide?
The InChIKey is WJKHIHTXVHWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O5S/c1-11(27)26-32(30,31)15-8-6-14(7-9-15)24-20(29)17-18(21)23-10-16(25-17)12-2-4-13(5-3-12)19(22)28/h2-10H,1H3,(H2,21,23)(H2,22,28)(H,24,29)(H,26,27).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide?
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide has a molecular weight of 454.47 g/mol, XLogP of 0.90, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-carbamoylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 156816842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).