N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide

C21H28N2O3S — CID 55344716

IUPACN-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-16-22(17-18-10-8-7-9-11-18)21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyXXDJPTDDFRWHJG-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.77
Rot. Bonds9

About N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide

N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide (PubChem CID 55344716) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
PubChem CID55344716
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-16-22(17-18-10-8-7-9-11-18)21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyXXDJPTDDFRWHJG-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
4-(dimethylsulfamoyl)-N-ethyl-N-(2-phenylethyl)benzamide
CID 55588043
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide?
The IUPAC name of N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide (CID 55344716) is N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide.
What is the SMILES notation for N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide?
The canonical SMILES for N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide?
The InChIKey is XXDJPTDDFRWHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-16-22(17-18-10-8-7-9-11-18)21(24)19-12-14-20(15-13-19)27(25,26)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3.
What are the key properties of N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide?
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide is sourced from PubChem (CID 55344716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).