N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide

C20H26N4O5S — CID 26521170

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1C
InChIInChI=1S/C20H26N4O5S/c1-6-23(7-2)30(28,29)19-12-15(9-8-14(19)3)21-20(25)17-13-16(24(26)27)10-11-18(17)22(4)5/h8-13H,6-7H2,1-5H3,(H,21,25)
InChIKeyVMWCCJFKDKTVMG-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.25
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide (PubChem CID 26521170) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
PubChem CID26521170
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1C
InChIInChI=1S/C20H26N4O5S/c1-6-23(7-2)30(28,29)19-12-15(9-8-14(19)3)21-20(25)17-13-16(24(26)27)10-11-18(17)22(4)5/h8-13H,6-7H2,1-5H3,(H,21,25)
InChIKeyVMWCCJFKDKTVMG-UHFFFAOYSA-N
XLogP3.25
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide 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-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[4-(diethylcarbamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 7551785
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
2-(dimethylamino)-5-nitro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188138
N-[3-(butylsulfamoyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 36672196
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
2-(dimethylamino)-N-naphthalen-2-yl-5-nitrobenzamide
CID 8762252
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
3-[ethyl-(2-methyl-5-nitrophenyl)sulfonylamino]propanoic acid
CID 61007016

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide (CID 26521170) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The InChIKey is VMWCCJFKDKTVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-6-23(7-2)30(28,29)19-12-15(9-8-14(19)3)21-20(25)17-13-16(24(26)27)10-11-18(17)22(4)5/h8-13H,6-7H2,1-5H3,(H,21,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide has a molecular weight of 434.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide is sourced from PubChem (CID 26521170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).