N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 994386

IUPACN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-5-13(2)16(10-12)20(24(3,22)23)11-17(21)19-15-8-6-14(18)7-9-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyIFRFOQMLABTDGW-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 994386) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID994386
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-5-13(2)16(10-12)20(24(3,22)23)11-17(21)19-15-8-6-14(18)7-9-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyIFRFOQMLABTDGW-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1100045
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 998752
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338023
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 30168671
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 994386) is N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(C)c(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is IFRFOQMLABTDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-4-5-13(2)16(10-12)20(24(3,22)23)11-17(21)19-15-8-6-14(18)7-9-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 366.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 994386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).