2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

C18H22ClN3O3S — CID 8542629

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN(C)Cc2ccccc2Cl)ccc1C
InChIInChI=1S/C18H22ClN3O3S/c1-13-8-9-15(10-17(13)26(24,25)20-2)21-18(23)12-22(3)11-14-6-4-5-7-16(14)19/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyZLKYSAJCLMTJRO-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.63
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 8542629) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID8542629
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CN(C)Cc2ccccc2Cl)ccc1C
InChIInChI=1S/C18H22ClN3O3S/c1-13-8-9-15(10-17(13)26(24,25)20-2)21-18(23)12-22(3)11-14-6-4-5-7-16(14)19/h4-10,20H,11-12H2,1-3H3,(H,21,23)
InChIKeyZLKYSAJCLMTJRO-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 8914627
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide (CID 8542629) is 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)CN(C)Cc2ccccc2Cl)ccc1C.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is ZLKYSAJCLMTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-8-9-15(10-17(13)26(24,25)20-2)21-18(23)12-22(3)11-14-6-4-5-7-16(14)19/h4-10,20H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 8542629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).