N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide

C21H29N3O3S — CID 78848190

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H29N3O3S/c1-6-22-19-12-10-17(28(26,27)24(7-2)8-3)14-20(19)23-21(25)18-11-9-15(4)13-16(18)5/h9-14,22H,6-8H2,1-5H3,(H,23,25)
InChIKeyJPHYWKHOONKGBZ-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.02
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide (PubChem CID 78848190) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
PubChem CID78848190
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H29N3O3S/c1-6-22-19-12-10-17(28(26,27)24(7-2)8-3)14-20(19)23-21(25)18-11-9-15(4)13-16(18)5/h9-14,22H,6-8H2,1-5H3,(H,23,25)
InChIKeyJPHYWKHOONKGBZ-UHFFFAOYSA-N
XLogP4.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide 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

4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 78869822
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide (CID 78848190) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide?
The InChIKey is JPHYWKHOONKGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-6-22-19-12-10-17(28(26,27)24(7-2)8-3)14-20(19)23-21(25)18-11-9-15(4)13-16(18)5/h9-14,22H,6-8H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide has a molecular weight of 403.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 78848190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).