2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide

C20H26ClN3O3S — CID 8901118

IUPAC2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(13-17)22-20(25)15-23(3)14-16-9-7-6-8-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyDCFNRZLIBZADFB-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.44
Rot. Bonds9

About 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide

2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 8901118) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
PubChem CID8901118
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(13-17)22-20(25)15-23(3)14-16-9-7-6-8-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyDCFNRZLIBZADFB-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035389
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 4818902
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4849161
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide (CID 8901118) is 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is DCFNRZLIBZADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-4-24(5-2)28(26,27)17-11-12-18(21)19(13-17)22-20(25)15-23(3)14-16-9-7-6-8-10-16/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 423.97 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8901118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).