N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide

C21H28N2O6S — CID 2520365

IUPACN-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O6S/c1-6-27-18-13-15(14-19(28-7-2)20(18)29-8-3)21(24)22-16-9-11-17(12-10-16)30(25,26)23(4)5/h9-14H,6-8H2,1-5H3,(H,22,24)
InChIKeyRPVKBRKUXGHVAM-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.39
Rot. Bonds10

About N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide

N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide (PubChem CID 2520365) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
PubChem CID2520365
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O6S/c1-6-27-18-13-15(14-19(28-7-2)20(18)29-8-3)21(24)22-16-9-11-17(12-10-16)30(25,26)23(4)5/h9-14H,6-8H2,1-5H3,(H,22,24)
InChIKeyRPVKBRKUXGHVAM-UHFFFAOYSA-N
XLogP3.39
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide 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

N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide (CID 2520365) is N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is RPVKBRKUXGHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-6-27-18-13-15(14-19(28-7-2)20(18)29-8-3)21(24)22-16-9-11-17(12-10-16)30(25,26)23(4)5/h9-14H,6-8H2,1-5H3,(H,22,24).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide?
N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 436.53 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 2520365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).