2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C18H18ClN3O3S — CID 55729086

IUPAC2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1
InChIInChI=1S/C18H18ClN3O3S/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)26(24,25)15-7-8-16(19)14(9-15)10-20/h4-9H,11H2,1-3H3,(H,21,23)
InChIKeyRCTMZNRBGDCGBF-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 55729086) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID55729086
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1
InChIInChI=1S/C18H18ClN3O3S/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)26(24,25)15-7-8-16(19)14(9-15)10-20/h4-9H,11H2,1-3H3,(H,21,23)
InChIKeyRCTMZNRBGDCGBF-UHFFFAOYSA-N
XLogP3.09
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 26941934
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-(3-chloro-4-cyanophenyl)-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 38014178
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 55729086) is 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1.
What is the InChIKey of 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RCTMZNRBGDCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)26(24,25)15-7-8-16(19)14(9-15)10-20/h4-9H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 391.88 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-cyanophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 55729086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).