N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide

C21H28N2O4S — CID 9094420

IUPACN-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2ccccc2)c1
InChIInChI=1S/C21H28N2O4S/c1-4-23(5-2)28(25,26)20-13-9-12-19(16-20)21(24)22(14-15-27-3)17-18-10-7-6-8-11-18/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyCGCRUCOSIMFVMR-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.01
Rot. Bonds10

About N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide

N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide (PubChem CID 9094420) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
PubChem CID9094420
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2ccccc2)c1
InChIInChI=1S/C21H28N2O4S/c1-4-23(5-2)28(25,26)20-13-9-12-19(16-20)21(24)22(14-15-27-3)17-18-10-7-6-8-11-18/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyCGCRUCOSIMFVMR-UHFFFAOYSA-N
XLogP3.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)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-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 31236388
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
methyl 3-[benzyl-[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propanoate
CID 55512838
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide (CID 9094420) is N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is CGCRUCOSIMFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-23(5-2)28(25,26)20-13-9-12-19(16-20)21(24)22(14-15-27-3)17-18-10-7-6-8-11-18/h6-13,16H,4-5,14-15,17H2,1-3H3.
What are the key properties of N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide?
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 9094420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).