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

C20H26N2O3S — CID 9474464

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)18-11-9-17(10-12-18)14-21-20(23)19-13-15(3)7-8-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyWLDUSOVDGBKMMP-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds7

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

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide (PubChem CID 9474464) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
PubChem CID9474464
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)18-11-9-17(10-12-18)14-21-20(23)19-13-15(3)7-8-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyWLDUSOVDGBKMMP-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
5-(diethylsulfamoyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzamide
CID 87043361
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 60566565
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide (CID 9474464) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide?
The InChIKey is WLDUSOVDGBKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)18-11-9-17(10-12-18)14-21-20(23)19-13-15(3)7-8-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,21,23).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 9474464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).