6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide

C21H20N6O5S — CID 156817299

IUPAC6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N6O5S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)33(31,32)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29)
InChIKeyYNSJFSDBWWFEQC-UHFFFAOYSA-N
MW468.50 g/mol
LogP1.76
Rot. Bonds6

About 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide

6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide (PubChem CID 156817299) has the molecular formula C21H20N6O5S and a molecular weight of 468.50 g/mol. Its IUPAC name is 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide
PubChem CID156817299
Molecular FormulaC21H20N6O5S
Molecular Weight468.50 g/mol
Exact Mass468.12
IUPAC Name6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N6O5S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)33(31,32)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29)
InChIKeyYNSJFSDBWWFEQC-UHFFFAOYSA-N
XLogP1.76
TPSA173.24 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide?
The IUPAC name of 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide (CID 156817299) is 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide?
The canonical SMILES for 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide is CC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)n2)cc1.
What is the InChIKey of 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide?
The InChIKey is YNSJFSDBWWFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O5S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)33(31,32)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29).
What are the key properties of 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide?
6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide has a molecular weight of 468.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidophenyl)-N-[4-(acetylsulfamoyl)phenyl]-3-aminopyrazine-2-carboxamide is sourced from PubChem (CID 156817299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).