4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide

C20H22N4O5S — CID 20941642

IUPAC4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1OC
InChIInChI=1S/C20H22N4O5S/c1-28-17-8-5-15(13-18(17)29-2)24-12-11-23-19(20(24)25)22-10-9-14-3-6-16(7-4-14)30(21,26)27/h3-8,11-13H,9-10H2,1-2H3,(H,22,23)(H2,21,26,27)
InChIKeyZUKIGJQBTVOIQI-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.55
Rot. Bonds8

About 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 20941642) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID20941642
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1OC
InChIInChI=1S/C20H22N4O5S/c1-28-17-8-5-15(13-18(17)29-2)24-12-11-23-19(20(24)25)22-10-9-14-3-6-16(7-4-14)30(21,26)27/h3-8,11-13H,9-10H2,1-2H3,(H,22,23)(H2,21,26,27)
InChIKeyZUKIGJQBTVOIQI-UHFFFAOYSA-N
XLogP1.55
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide 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

4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941591
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-one
CID 18591923
4-[2-[[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 8721605
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337598
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 46337620
3-[2-(3,4-diethoxyphenyl)ethylamino]-1-(3-fluoro-4-methylphenyl)pyrazin-2-one
CID 18592076
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (CID 20941642) is 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is COc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1OC.
What is the InChIKey of 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is ZUKIGJQBTVOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-28-17-8-5-15(13-18(17)29-2)24-12-11-23-19(20(24)25)22-10-9-14-3-6-16(7-4-14)30(21,26)27/h3-8,11-13H,9-10H2,1-2H3,(H,22,23)(H2,21,26,27).
What are the key properties of 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 20941642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).