6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide

C18H19N3O4S — CID 21162372

IUPAC6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C18H19N3O4S/c1-12-2-7-16-14(10-12)11-21(17(16)22)18(23)20-9-8-13-3-5-15(6-4-13)26(19,24)25/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyKUGXMIWCWURFQM-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.55
Rot. Bonds4

About 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide

6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide (PubChem CID 21162372) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide.

Molecular Properties

Compound Name6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide
PubChem CID21162372
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide
SMILESCc1ccc2c(c1)CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O
InChIInChI=1S/C18H19N3O4S/c1-12-2-7-16-14(10-12)11-21(17(16)22)18(23)20-9-8-13-3-5-15(6-4-13)26(19,24)25/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyKUGXMIWCWURFQM-UHFFFAOYSA-N
XLogP1.55
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-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

N-[2-[4-(carbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 70578684
N-[2-[4-(butylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 21162325
ethyl 4-[2-(4-sulfamoylphenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108989656
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
1-[3-(4-methylphenyl)-3-oxopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108874657
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
N-[2-[4-[(3-methylcyclopentyl)carbamoylsulfamoyl]phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide
CID 56638621
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-3-oxo-1H-isoindole-2-carboxamide;methoxymethane
CID 21162344
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide?
The IUPAC name of 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide (CID 21162372) is 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide.
What is the SMILES notation for 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide?
The canonical SMILES for 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide is Cc1ccc2c(c1)CN(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2=O.
What is the InChIKey of 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide?
The InChIKey is KUGXMIWCWURFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-2-7-16-14(10-12)11-21(17(16)22)18(23)20-9-8-13-3-5-15(6-4-13)26(19,24)25/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide?
6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide is sourced from PubChem (CID 21162372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).