N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C18H22ClN3O3S — CID 92663794

IUPACN-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-8-9-14(2)17(10-13)22(26(24,25)21(3)4)12-18(23)20-16-7-5-6-15(19)11-16/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyVVHFYCHGAQASQE-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.21
Rot. Bonds6

About N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 92663794) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID92663794
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22ClN3O3S/c1-13-8-9-14(2)17(10-13)22(26(24,25)21(3)4)12-18(23)20-16-7-5-6-15(19)11-16/h5-11H,12H2,1-4H3,(H,20,23)
InChIKeyVVHFYCHGAQASQE-UHFFFAOYSA-N
XLogP3.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
methyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]benzoate
CID 92663899
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
CID 92663800
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 18891020
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279414
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126129293
N-(2,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282036
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 92663794) is N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is Cc1ccc(C)c(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is VVHFYCHGAQASQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13-8-9-14(2)17(10-13)22(26(24,25)21(3)4)12-18(23)20-16-7-5-6-15(19)11-16/h5-11H,12H2,1-4H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 395.91 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 92663794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).