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

C20H19N5O6S2 — CID 157129576

IUPACN-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H19N5O6S2/c1-12(26)25-33(30,31)16-6-2-13(3-7-16)10-18(27)19-20(21)23-11-17(24-19)14-4-8-15(9-5-14)32(22,28)29/h2-9,11H,10H2,1H3,(H2,21,23)(H,25,26)(H2,22,28,29)
InChIKeyOUWPFDGUUGPQSG-UHFFFAOYSA-N
MW489.54 g/mol
LogP0.62
Rot. Bonds7

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

N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (PubChem CID 157129576) has the molecular formula C20H19N5O6S2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
PubChem CID157129576
Molecular FormulaC20H19N5O6S2
Molecular Weight489.54 g/mol
Exact Mass489.08
IUPAC NameN-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1
InChIInChI=1S/C20H19N5O6S2/c1-12(26)25-33(30,31)16-6-2-13(3-7-16)10-18(27)19-20(21)23-11-17(24-19)14-4-8-15(9-5-14)32(22,28)29/h2-9,11H,10H2,1H3,(H2,21,23)(H,25,26)(H2,22,28,29)
InChIKeyOUWPFDGUUGPQSG-UHFFFAOYSA-N
XLogP0.62
TPSA192.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

Azd2858
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VE-821
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3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
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3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
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3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 10231705
3-Amino-N-pyridin-3-yl-6-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide (CID 157129576) is N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(S(N)(=O)=O)cc3)cnc2N)cc1.
What is the InChIKey of N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
The InChIKey is OUWPFDGUUGPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O6S2/c1-12(26)25-33(30,31)16-6-2-13(3-7-16)10-18(27)19-20(21)23-11-17(24-19)14-4-8-15(9-5-14)32(22,28)29/h2-9,11H,10H2,1H3,(H2,21,23)(H,25,26)(H2,22,28,29).
What are the key properties of N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide?
N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide has a molecular weight of 489.54 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-6-(4-sulfamoylphenyl)pyrazin-2-yl]-2-oxoethyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 157129576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).