2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

C18H22ClN3O3S — CID 5199586

IUPAC2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-11-15(9-10-16(17)19)20-18(23)13-22(3)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyFCVBUJVFMRCAFY-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.66
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 5199586) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID5199586
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-11-15(9-10-16(17)19)20-18(23)13-22(3)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyFCVBUJVFMRCAFY-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (CID 5199586) is 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is FCVBUJVFMRCAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21(2)26(24,25)17-11-15(9-10-16(17)19)20-18(23)13-22(3)12-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
2-[benzyl(methyl)amino]-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.66, 7 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-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 5199586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).