2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide

C21H22N4O4S — CID 122284330

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCc1cccn2cc(-c3cccc(NS(=O)(=O)CCN4C(=O)CCCC4=O)c3)nc12
InChIInChI=1S/C21H22N4O4S/c1-15-5-4-10-24-14-18(22-21(15)24)16-6-2-7-17(13-16)23-30(28,29)12-11-25-19(26)8-3-9-20(25)27/h2,4-7,10,13-14,23H,3,8-9,11-12H2,1H3
InChIKeyAEVVQLPAWOQQFP-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.59
Rot. Bonds6

About 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide (PubChem CID 122284330) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide
PubChem CID122284330
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCc1cccn2cc(-c3cccc(NS(=O)(=O)CCN4C(=O)CCCC4=O)c3)nc12
InChIInChI=1S/C21H22N4O4S/c1-15-5-4-10-24-14-18(22-21(15)24)16-6-2-7-17(13-16)23-30(28,29)12-11-25-19(26)8-3-9-20(25)27/h2,4-7,10,13-14,23H,3,8-9,11-12H2,1H3
InChIKeyAEVVQLPAWOQQFP-UHFFFAOYSA-N
XLogP2.59
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide (CID 122284330) is 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide is Cc1cccn2cc(-c3cccc(NS(=O)(=O)CCN4C(=O)CCCC4=O)c3)nc12.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is AEVVQLPAWOQQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-5-4-10-24-14-18(22-21(15)24)16-6-2-7-17(13-16)23-30(28,29)12-11-25-19(26)8-3-9-20(25)27/h2,4-7,10,13-14,23H,3,8-9,11-12H2,1H3.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 426.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 122284330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).