4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

C21H27N3O4S — CID 22108828

IUPAC4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-16-3-6-19(15-17(16)2)23-29(26,27)20-7-4-18(5-8-20)21(25)22-9-10-24-11-13-28-14-12-24/h3-8,15,23H,9-14H2,1-2H3,(H,22,25)
InChIKeyGWBRTNIDMRVKRJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.17
Rot. Bonds7

About 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 22108828) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID22108828
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C
InChIInChI=1S/C21H27N3O4S/c1-16-3-6-19(15-17(16)2)23-29(26,27)20-7-4-18(5-8-20)21(25)22-9-10-24-11-13-28-14-12-24/h3-8,15,23H,9-14H2,1-2H3,(H,22,25)
InChIKeyGWBRTNIDMRVKRJ-UHFFFAOYSA-N
XLogP2.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide 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-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
N-(2-methoxyethyl)-4-(2-morpholin-4-ylethylsulfamoyl)benzamide
CID 109059683
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
N-[2-(azepan-1-yl)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 37297933
5-[(4-tert-butylphenyl)sulfonylamino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282650

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 22108828) is 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is GWBRTNIDMRVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-3-6-19(15-17(16)2)23-29(26,27)20-7-4-18(5-8-20)21(25)22-9-10-24-11-13-28-14-12-24/h3-8,15,23H,9-14H2,1-2H3,(H,22,25).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 22108828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).