N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

C21H19FN4O4S — CID 158625099

IUPACN-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1
InChIInChI=1S/C21H19FN4O4S/c1-12-3-6-15(10-17(12)22)18-11-24-21(23)20(25-18)19(28)9-14-4-7-16(8-5-14)31(29,30)26-13(2)27/h3-8,10-11H,9H2,1-2H3,(H2,23,24)(H,26,27)
InChIKeyOKTBGXYJJOJMNB-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.42
Rot. Bonds6

About N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide

N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 158625099) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID158625099
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC NameN-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1
InChIInChI=1S/C21H19FN4O4S/c1-12-3-6-15(10-17(12)22)18-11-24-21(23)20(25-18)19(28)9-14-4-7-16(8-5-14)31(29,30)26-13(2)27/h3-8,10-11H,9H2,1-2H3,(H2,23,24)(H,26,27)
InChIKeyOKTBGXYJJOJMNB-UHFFFAOYSA-N
XLogP2.42
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd2858
CID 10138980
VE-821
CID 51000408
3-Amino-N-(3-Methoxypropyl)-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}pyrazine-2-Carboxamide
CID 10254786
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 56603751
3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
CID 56962315
3-amino-6-(4-piperidin-1-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10138033
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10142642
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
CID 10113102
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
3-Amino-6-[2-fluoro-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide
CID 10164394
3-amino-N-(3-pyridyl)-6-(4-sulfamoylphenyl)pyrazine-2-carboxamide
CID 10177172

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 158625099) is N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)c(F)c3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is OKTBGXYJJOJMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-12-3-6-15(10-17(12)22)18-11-24-21(23)20(25-18)19(28)9-14-4-7-16(8-5-14)31(29,30)26-13(2)27/h3-8,10-11H,9H2,1-2H3,(H2,23,24)(H,26,27).
What are the key properties of N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 442.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(3-fluoro-4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 158625099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).