N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide

C17H19ClN2O3S — CID 51343114

IUPACN-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-13(2)10-16(9-12)20(24(3,22)23)11-17(21)19-15-6-4-14(18)5-7-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyHZNKOZKVTODRGI-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.36
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 51343114) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID51343114
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S/c1-12-8-13(2)10-16(9-12)20(24(3,22)23)11-17(21)19-15-6-4-14(18)5-7-15/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyHZNKOZKVTODRGI-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-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 51343111
methyl 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153979
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
ethyl 2-chloro-5-[[2-(3,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 99952351
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153986
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-(N-acetyl-3,5-dimethylanilino)-N-(4-chlorophenyl)acetamide
CID 113168546
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 51343114) is N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is HZNKOZKVTODRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-8-13(2)10-16(9-12)20(24(3,22)23)11-17(21)19-15-6-4-14(18)5-7-15/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-chlorophenyl)-2-(3,5-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-(3,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 51343114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).