N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide

C24H29N3O3S — CID 2392822

IUPACN-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide
SMILESCC1=CC(NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)=CC(C)(C)C1
InChIInChI=1S/C24H29N3O3S/c1-16-9-10-22(18(3)11-16)27-31(29,30)21-8-6-7-19(13-21)23(28)26-25-20-12-17(2)14-24(4,5)15-20/h6-13,15,25,27H,14H2,1-5H3,(H,26,28)
InChIKeyJNNJFUMFJJWWTD-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.60
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide

N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide (PubChem CID 2392822) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide
PubChem CID2392822
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide
SMILESCC1=CC(NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)=CC(C)(C)C1
InChIInChI=1S/C24H29N3O3S/c1-16-9-10-22(18(3)11-16)27-31(29,30)21-8-6-7-19(13-21)23(28)26-25-20-12-17(2)14-24(4,5)15-20/h6-13,15,25,27H,14H2,1-5H3,(H,26,28)
InChIKeyJNNJFUMFJJWWTD-UHFFFAOYSA-N
XLogP4.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide 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

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
N-(2,4-dimethylphenyl)-3-[[(4-fluoro-2-methylphenyl)sulfonylamino]carbamoyl]benzenesulfonamide
CID 30666490
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-(2,4-dimethylphenyl)-3-[[[(E)-1,3-diphenylprop-1-en-2-yl]amino]carbamoyl]benzenesulfonamide
CID 2329811
4-bromo-N'-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)benzohydrazide
CID 2376438
N-(2,4-dimethylphenyl)-3-[[(9,10,10-trioxothioxanthene-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 2381880
3-[[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24565267
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-[(1R,4R,5S)-5-methoxy-5-methyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 166402531

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide (CID 2392822) is N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide is CC1=CC(NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)=CC(C)(C)C1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is JNNJFUMFJJWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16-9-10-22(18(3)11-16)27-31(29,30)21-8-6-7-19(13-21)23(28)26-25-20-12-17(2)14-24(4,5)15-20/h6-13,15,25,27H,14H2,1-5H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide?
N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[[(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 2392822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).