2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide

C19H19N5O4S — CID 122285690

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C19H19N5O4S/c25-17-3-1-4-18(26)24(17)11-12-29(27,28)22-15-7-5-14(6-8-15)16-13-23-10-2-9-20-19(23)21-16/h2,5-10,13,22H,1,3-4,11-12H2
InChIKeyXOYUPBFEWFOKOI-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.68
Rot. Bonds6

About 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide (PubChem CID 122285690) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide
PubChem CID122285690
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide
SMILESO=C1CCCC(=O)N1CCS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C19H19N5O4S/c25-17-3-1-4-18(26)24(17)11-12-29(27,28)22-15-7-5-14(6-8-15)16-13-23-10-2-9-20-19(23)21-16/h2,5-10,13,22H,1,3-4,11-12H2
InChIKeyXOYUPBFEWFOKOI-UHFFFAOYSA-N
XLogP1.68
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285743
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748
2-(2,6-dioxopiperidin-1-yl)-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanesulfonamide
CID 122284330
1-(2,5-difluorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285712
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122285724
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55825252
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 98850958
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide (CID 122285690) is 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide is O=C1CCCC(=O)N1CCS(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide?
The InChIKey is XOYUPBFEWFOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c25-17-3-1-4-18(26)24(17)11-12-29(27,28)22-15-7-5-14(6-8-15)16-13-23-10-2-9-20-19(23)21-16/h2,5-10,13,22H,1,3-4,11-12H2.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide has a molecular weight of 413.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)ethanesulfonamide is sourced from PubChem (CID 122285690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).