1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone

C19H17N3O3S — CID 140930856

IUPAC1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O3S/c1-26(24,25)15-9-7-14(8-10-15)16-12-21-19(20)18(22-16)17(23)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21)
InChIKeyAVTZMTIRXDTKAK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone

1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone (PubChem CID 140930856) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone
PubChem CID140930856
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H17N3O3S/c1-26(24,25)15-9-7-14(8-10-15)16-12-21-19(20)18(22-16)17(23)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21)
InChIKeyAVTZMTIRXDTKAK-UHFFFAOYSA-N
XLogP2.55
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

VE-821
CID 51000408
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-amino-6-(3-(methylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 46834572
3-Amino-6-[4-[[2-(dimethylamino)-1-methylethyl]sulfonyl]phenyl]-N-phenyl-2-pyrazinecarboxamide
CID 52915004
3-amino-6-(4-(methylsulfinyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937555
3-amino-6-(2-(methylsulfinyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937254
3-amino-6-(4-(ethylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937556
3-amino-6-(4-(isopropylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937557
3-amino-N-phenyl-6-(4-(propylsulfonyl)phenyl)pyrazine-2-carboxamide
CID 52937558
3-amino-6-(4-(sec-butylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937559
3-amino-6-(4-(tert-butylsulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937659
3-amino-6-(4-((4-hydroxybutan-2-yl)sulfonyl)phenyl)-N-phenylpyrazine-2-carboxamide
CID 52937660

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone?
The IUPAC name of 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone (CID 140930856) is 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone is CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone?
The InChIKey is AVTZMTIRXDTKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-26(24,25)15-9-7-14(8-10-15)16-12-21-19(20)18(22-16)17(23)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,20,21).
What are the key properties of 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone?
1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone has a molecular weight of 367.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-2-phenylethanone is sourced from PubChem (CID 140930856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).