N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

C22H27N3O5S — CID 3235931

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1
InChIInChI=1S/C22H27N3O5S/c1-4-25(5-2)31(28,29)18-11-9-17(10-12-18)23-21(26)19-8-6-7-16-15-24(13-14-30-3)22(27)20(16)19/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)
InChIKeyMCJNDWGDTMWYTR-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.57
Rot. Bonds9

About N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 3235931) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
PubChem CID3235931
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1
InChIInChI=1S/C22H27N3O5S/c1-4-25(5-2)31(28,29)18-11-9-17(10-12-18)23-21(26)19-8-6-7-16-15-24(13-14-30-3)22(27)20(16)19/h6-12H,4-5,13-15H2,1-3H3,(H,23,26)
InChIKeyMCJNDWGDTMWYTR-UHFFFAOYSA-N
XLogP2.57
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide 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-Dioxo-1,3-dihydro-isoindol-2-YL)-benzenesulfonamide
CID 3586494
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
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
Ethyl 4-[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]-1-piperazinecarboxylate
CID 2133616
2,3-Dihydroindol-1-yl-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 3587175
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3237334
N-mesityl-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3244972
2-(2-methoxyethyl)-3-oxo-N-[4-(piperidin-1-ylsulfonyl)phenyl]isoindoline-4-carboxamide
CID 3245754
N-(4-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)phenyl)acetamide
CID 1523409

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide (CID 3235931) is N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3c2C(=O)N(CCOC)C3)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
The InChIKey is MCJNDWGDTMWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-4-25(5-2)31(28,29)18-11-9-17(10-12-18)23-21(26)19-8-6-7-16-15-24(13-14-30-3)22(27)20(16)19/h6-12H,4-5,13-15H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 3235931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).