[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C22H23N3O7S — CID 2371101

IUPAC[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O7S/c1-3-24(4-2)33(30,31)16-11-9-15(10-12-16)23-19(26)14-32-20(27)13-25-21(28)17-7-5-6-8-18(17)22(25)29/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyMKCPRRAGYRSZSW-UHFFFAOYSA-N
MW473.51 g/mol
LogP1.50
Rot. Bonds9

About [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2371101) has the molecular formula C22H23N3O7S and a molecular weight of 473.51 g/mol. Its IUPAC name is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2371101
Molecular FormulaC22H23N3O7S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC Name[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O7S/c1-3-24(4-2)33(30,31)16-11-9-15(10-12-16)23-19(26)14-32-20(27)13-25-21(28)17-7-5-6-8-18(17)22(25)29/h5-12H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyMKCPRRAGYRSZSW-UHFFFAOYSA-N
XLogP1.50
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate 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

2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3235931
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3237334
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754
ethyl 4-(1-{[4-(morpholin-4-ylsulfonyl)phenyl]amino}-3-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-1-carboxylate
CID 16194430
2-[4-(Morpholin-4-ylsulfonyl)phenyl]benzo[c]azolidine-1,3-dione
CID 969454
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]sulfonylacetamide
CID 680996
4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-isopropyl-benzenesulfonamide
CID 815028
N-tert-Butyl-4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzenesulfonamide
CID 1101285
N-[4-(acetylsulfamoyl)phenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 2101183

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2371101) is [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is MKCPRRAGYRSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O7S/c1-3-24(4-2)33(30,31)16-11-9-15(10-12-16)23-19(26)14-32-20(27)13-25-21(28)17-7-5-6-8-18(17)22(25)29/h5-12H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 473.51 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 2371101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).