4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide

C20H27N3O3S — CID 109060317

IUPAC4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-16-6-10-18(11-7-16)22-20(24)17-8-12-19(13-9-17)27(25,26)21-14-5-15-23(2)3/h6-13,21H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyYANKCMNEKGUASI-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.73
Rot. Bonds9

About 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide

4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide (PubChem CID 109060317) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
PubChem CID109060317
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-16-6-10-18(11-7-16)22-20(24)17-8-12-19(13-9-17)27(25,26)21-14-5-15-23(2)3/h6-13,21H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyYANKCMNEKGUASI-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 109060325
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060210
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-[2-(dimethylamino)ethyl]-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112991485
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide (CID 109060317) is 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCCN(C)C)cc2)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide?
The InChIKey is YANKCMNEKGUASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-16-6-10-18(11-7-16)22-20(24)17-8-12-19(13-9-17)27(25,26)21-14-5-15-23(2)3/h6-13,21H,4-5,14-15H2,1-3H3,(H,22,24).
What are the key properties of 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide?
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 109060317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).