3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide

C19H18N4O3S — CID 52937556

IUPAC3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-27(25,26)15-10-8-13(9-11-15)16-12-21-18(20)17(23-16)19(24)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)(H,22,24)
InChIKeySBKCMPYJNSYKTG-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.77
Rot. Bonds5

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

3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937556) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937556
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-27(25,26)15-10-8-13(9-11-15)16-12-21-18(20)17(23-16)19(24)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)(H,22,24)
InChIKeySBKCMPYJNSYKTG-UHFFFAOYSA-N
XLogP2.77
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937556) is 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is SBKCMPYJNSYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-2-27(25,26)15-10-8-13(9-11-15)16-12-21-18(20)17(23-16)19(24)22-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,20,21)(H,22,24).
What are the key properties of 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-ethylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).