2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide

C19H20N2O4S — CID 110288623

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O4S/c1-14-5-4-6-15(13-14)9-10-20-26(24,25)12-11-21-18(22)16-7-2-3-8-17(16)19(21)23/h2-8,13,20H,9-12H2,1H3
InChIKeyGQIGARIYEAEZEU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.75
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 110288623) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
PubChem CID110288623
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H20N2O4S/c1-14-5-4-6-15(13-14)9-10-20-26(24,25)12-11-21-18(22)16-7-2-3-8-17(16)19(21)23/h2-8,13,20H,9-12H2,1H3
InChIKeyGQIGARIYEAEZEU-UHFFFAOYSA-N
XLogP1.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide 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-[(1,3-Dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 323350
2-Phthalimidoethanesulfonyl chloride
CID 308739
4-[(5-Methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 71602412
N-(4-methylbenzyl)-3-oxo-2-propylisoindoline-4-carboxamide
CID 16193483
N-(2-cyclohex-1-en-1-ylethyl)-2-cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 16194355
2-(4-Phenethylamino-butyl)-isoindole-1,3-dione
CID 14566697
2-[4-[Benzyl(methyl)amino]butyl]isoindole-1,3-dione
CID 14985618
4-[2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]benzenesulfonamide
CID 17774014
2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943479
3-Oxo-2-(3-phenylpropyl)isoindoline-4-carboxamide
CID 73774806
2-benzyl-3-oxo-1H-isoindole-4-carboxamide
CID 73776794
3-Oxo-2-phenethylisoindoline-4-carboxamide
CID 73776795

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide (CID 110288623) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide is Cc1cccc(CCNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is GQIGARIYEAEZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14-5-4-6-15(13-14)9-10-20-26(24,25)12-11-21-18(22)16-7-2-3-8-17(16)19(21)23/h2-8,13,20H,9-12H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110288623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).