3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide

C20H20N4O3S — CID 52937557

IUPAC3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)
InChIKeySIJVOCXXIKNHDX-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.16
Rot. Bonds5

About 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide

3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 52937557) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID52937557
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25)
InChIKeySIJVOCXXIKNHDX-UHFFFAOYSA-N
XLogP3.16
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide (CID 52937557) is 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is SIJVOCXXIKNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13(2)28(26,27)16-10-8-14(9-11-16)17-12-22-19(21)18(24-17)20(25)23-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,21,22)(H,23,25).
What are the key properties of 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide?
3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 52937557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).