2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C17H19ClN2O3S — CID 1204044

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-8-15(9-5-12)19-17(21)11-20(24(3,22)23)16-10-14(18)7-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCFNPHHOBXOBGJE-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 1204044) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID1204044
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-8-15(9-5-12)19-17(21)11-20(24(3,22)23)16-10-14(18)7-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyCFNPHHOBXOBGJE-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

N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
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
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
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 126031230
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 1204044) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is CFNPHHOBXOBGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-4-8-15(9-5-12)19-17(21)11-20(24(3,22)23)16-10-14(18)7-6-13(16)2/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)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 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1204044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).