3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide

C21H22N4O3S — CID 52937559

IUPAC3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O3S/c1-3-14(2)29(27,28)17-11-9-15(10-12-17)18-13-23-20(22)19(25-18)21(26)24-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H2,22,23)(H,24,26)
InChIKeyINUASEIKXMCJPI-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.55
Rot. Bonds6

About 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937559) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937559
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C21H22N4O3S/c1-3-14(2)29(27,28)17-11-9-15(10-12-17)18-13-23-20(22)19(25-18)21(26)24-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H2,22,23)(H,24,26)
InChIKeyINUASEIKXMCJPI-UHFFFAOYSA-N
XLogP3.55
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937559) is 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is INUASEIKXMCJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-3-14(2)29(27,28)17-11-9-15(10-12-17)18-13-23-20(22)19(25-18)21(26)24-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H2,22,23)(H,24,26).
What are the key properties of 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-butan-2-ylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).