4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide

C20H26N2O3S — CID 46587666

IUPAC4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-11-9-17(10-12-19)20(23)21-14-18-8-7-15(3)13-16(18)4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyZNJDGLPZTASCJR-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.26
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide (PubChem CID 46587666) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
PubChem CID46587666
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-11-9-17(10-12-19)20(23)21-14-18-8-7-15(3)13-16(18)4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyZNJDGLPZTASCJR-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,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642029
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
4-(cyclopropylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587606
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
4-(diethylsulfamoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728458
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide (CID 46587666) is 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
The InChIKey is ZNJDGLPZTASCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-22(6-2)26(24,25)19-11-9-17(10-12-19)20(23)21-14-18-8-7-15(3)13-16(18)4/h7-13H,5-6,14H2,1-4H3,(H,21,23).
What are the key properties of 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide 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 4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide is sourced from PubChem (CID 46587666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).