2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

C24H27N3O5S — CID 108786914

IUPAC2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H27N3O5S/c25-33(31,32)18-11-9-16(10-12-18)13-14-26-22(28)19-6-2-1-5-17(19)15-27-23(29)20-7-3-4-8-21(20)24(27)30/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,28)(H2,25,31,32)
InChIKeyBQLDAPTZKVUQAS-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.10
Rot. Bonds7

About 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide

2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 108786914) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID108786914
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H27N3O5S/c25-33(31,32)18-11-9-16(10-12-18)13-14-26-22(28)19-6-2-1-5-17(19)15-27-23(29)20-7-3-4-8-21(20)24(27)30/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,28)(H2,25,31,32)
InChIKeyBQLDAPTZKVUQAS-UHFFFAOYSA-N
XLogP2.10
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-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

2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 108786916
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(2-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 108786926
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 108799794
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 108786821
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
N-(4,6-dimethylpyrimidin-2-yl)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxamide
CID 108799768
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110839448
(3R)-5-oxo-1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 9350652
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113201848

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide (CID 108786914) is 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BQLDAPTZKVUQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c25-33(31,32)18-11-9-16(10-12-18)13-14-26-22(28)19-6-2-1-5-17(19)15-27-23(29)20-7-3-4-8-21(20)24(27)30/h3-4,7-12,17,19H,1-2,5-6,13-15H2,(H,26,28)(H2,25,31,32).
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide?
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 108786914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).