N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide

C22H23ClN6O4S — CID 166329724

IUPACN-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide
SMILESCCC(Nc1cncc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)n1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H23ClN6O4S/c1-3-17(14-5-4-6-16(9-14)34(24,32)33)27-21-12-25-11-20(28-21)22(31)29-18-8-7-15(23)10-19(18)26-13(2)30/h4-12,17H,3H2,1-2H3,(H,26,30)(H,27,28)(H,29,31)(H2,24,32,33)
InChIKeyPZTFKGLPRSQIGJ-UHFFFAOYSA-N
MW502.98 g/mol
LogP3.55
Rot. Bonds8

About N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide

N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide (PubChem CID 166329724) has the molecular formula C22H23ClN6O4S and a molecular weight of 502.98 g/mol. Its IUPAC name is N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide
PubChem CID166329724
Molecular FormulaC22H23ClN6O4S
Molecular Weight502.98 g/mol
Exact Mass502.12
IUPAC NameN-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide
SMILESCCC(Nc1cncc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)n1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C22H23ClN6O4S/c1-3-17(14-5-4-6-16(9-14)34(24,32)33)27-21-12-25-11-20(28-21)22(31)29-18-8-7-15(23)10-19(18)26-13(2)30/h4-12,17H,3H2,1-2H3,(H,26,30)(H,27,28)(H,29,31)(H2,24,32,33)
InChIKeyPZTFKGLPRSQIGJ-UHFFFAOYSA-N
XLogP3.55
TPSA156.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide (CID 166329724) is N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide is CCC(Nc1cncc(C(=O)Nc2ccc(Cl)cc2NC(C)=O)n1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide?
The InChIKey is PZTFKGLPRSQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O4S/c1-3-17(14-5-4-6-16(9-14)34(24,32)33)27-21-12-25-11-20(28-21)22(31)29-18-8-7-15(23)10-19(18)26-13(2)30/h4-12,17H,3H2,1-2H3,(H,26,30)(H,27,28)(H,29,31)(H2,24,32,33).
What are the key properties of N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide?
N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide has a molecular weight of 502.98 g/mol, XLogP of 3.55, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 166329724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).