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

C20H17ClN4O4S — CID 157177666

IUPACN-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1
InChIInChI=1S/C20H17ClN4O4S/c1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h2-9,11H,10H2,1H3,(H2,22,23)(H,25,26)
InChIKeyAOEYJIKGJKHQIO-UHFFFAOYSA-N
MW444.90 g/mol
LogP2.63
Rot. Bonds6

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

N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 157177666) has the molecular formula C20H17ClN4O4S and a molecular weight of 444.90 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID157177666
Molecular FormulaC20H17ClN4O4S
Molecular Weight444.90 g/mol
Exact Mass444.07
IUPAC NameN-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1
InChIInChI=1S/C20H17ClN4O4S/c1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h2-9,11H,10H2,1H3,(H2,22,23)(H,25,26)
InChIKeyAOEYJIKGJKHQIO-UHFFFAOYSA-N
XLogP2.63
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.90
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-6-{4-Chloro-3-[(2,3-Difluorophenyl)sulfamoyl]phenyl}-N-Methylpyrazine-2-Carboxamide
CID 56955954
2-(4-chlorophenyl)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]acetamide
CID 1219828
3-amino-6-[4-[2-(dimethylamino)ethyl-ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10118131
5-[5-amino-6-(pyridine-3-carbonyl)pyrazin-2-yl]-2-chloro-N-phenylbenzenesulfonamide
CID 44219291
3-amino-6-[4-chloro-3-[(3-fluoro-2-methylphenyl)sulfamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 60155724
3-amino-N-methyl-6-[3-(phenylsulfamoyl)phenyl]pyrazine-2-carboxamide
CID 60155377
3-amino-6-[4-chloro-3-(phenylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155378
3-amino-6-[4-chloro-3-(methylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155379
3-amino-6-(4-chloro-3-sulfamoylphenyl)-N-methylpyrazine-2-carboxamide
CID 60155469
3-amino-6-[4-chloro-3-(2,2,2-trifluoroethylsulfamoyl)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155470
3-amino-6-[3-(benzenesulfonamido)phenyl]-N-methylpyrazine-2-carboxamide
CID 60155474
3-amino-6-[3-[(3-chlorophenyl)sulfonylamino]phenyl]-N-methylpyrazine-2-carboxamide
CID 60155475

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 157177666) is N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(Cl)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is AOEYJIKGJKHQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S/c1-12(26)25-30(28,29)16-8-2-13(3-9-16)10-18(27)19-20(22)23-11-17(24-19)14-4-6-15(21)7-5-14/h2-9,11H,10H2,1H3,(H2,22,23)(H,25,26).
What are the key properties of N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 444.90 g/mol, XLogP of 2.63, 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-(4-chlorophenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 157177666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).