2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide

C22H24N4O5S — CID 22520216

IUPAC2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ccn(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)c1
InChIInChI=1S/C22H24N4O5S/c1-2-16-4-3-5-18(14-16)24-20(27)15-26-13-12-25(21(28)22(26)29)11-10-17-6-8-19(9-7-17)32(23,30)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,24,27)(H2,23,30,31)
InChIKeyBSYFXBGVNFFWIR-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.10
Rot. Bonds8

About 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide

2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 22520216) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide
PubChem CID22520216
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2ccn(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)c1
InChIInChI=1S/C22H24N4O5S/c1-2-16-4-3-5-18(14-16)24-20(27)15-26-13-12-25(21(28)22(26)29)11-10-17-6-8-19(9-7-17)32(23,30)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,24,27)(H2,23,30,31)
InChIKeyBSYFXBGVNFFWIR-UHFFFAOYSA-N
XLogP1.10
TPSA133.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide (CID 22520216) is 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2ccn(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)c1.
What is the InChIKey of 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide?
The InChIKey is BSYFXBGVNFFWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-2-16-4-3-5-18(14-16)24-20(27)15-26-13-12-25(21(28)22(26)29)11-10-17-6-8-19(9-7-17)32(23,30)31/h3-9,12-14H,2,10-11,15H2,1H3,(H,24,27)(H2,23,30,31).
What are the key properties of 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide?
2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dioxo-4-[2-(4-sulfamoylphenyl)ethyl]pyrazin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 22520216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).