2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide

C19H18N4O4S — CID 38996983

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C19H18N4O4S/c24-18-15-6-1-2-7-16(15)19(25)23(18)11-12-28(26,27)21-9-8-17-20-13-14-5-3-4-10-22(14)17/h1-7,10,13,21H,8-9,11-12H2
InChIKeyKRUCUNCTCSJJTG-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.09
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide (PubChem CID 38996983) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
PubChem CID38996983
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C19H18N4O4S/c24-18-15-6-1-2-7-16(15)19(25)23(18)11-12-28(26,27)21-9-8-17-20-13-14-5-3-4-10-22(14)17/h1-7,10,13,21H,8-9,11-12H2
InChIKeyKRUCUNCTCSJJTG-UHFFFAOYSA-N
XLogP1.09
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
CID 38996985
6-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 110309581
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-(2-methylphenyl)methanesulfonamide
CID 110292199
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
CID 110398464
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110292165
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(2-imidazo[1,5-a]pyridin-3-yl-2-methylpropyl)isoindole-1,3-dione
CID 22038575
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide (CID 38996983) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCc1ncc2ccccn12.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide?
The InChIKey is KRUCUNCTCSJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c24-18-15-6-1-2-7-16(15)19(25)23(18)11-12-28(26,27)21-9-8-17-20-13-14-5-3-4-10-22(14)17/h1-7,10,13,21H,8-9,11-12H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide has a molecular weight of 398.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 38996983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).