2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide

C17H18ClNO3S — CID 17225150

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-3-8-16(13(2)9-12)19-17(20)11-23(21,22)10-14-4-6-15(18)7-5-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyOPQGFZWOLNWFMK-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.51
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide

2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 17225150) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID17225150
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-3-8-16(13(2)9-12)19-17(20)11-23(21,22)10-14-4-6-15(18)7-5-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyOPQGFZWOLNWFMK-UHFFFAOYSA-N
XLogP3.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926204
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
2-[(4-chlorophenyl)methylsulfonyl]-N-ethylacetamide
CID 17225149
2-(3-cyanopropylsulfonyl)-N-(2,4-dimethylphenyl)acetamide
CID 82183116
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
2-(2,5-difluorophenyl)sulfonyl-N-(2,4-dimethylphenyl)acetamide
CID 75527725
2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17225204
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
2-[(4-chlorophenyl)methylsulfonyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86926221

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide (CID 17225150) is 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is OPQGFZWOLNWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12-3-8-16(13(2)9-12)19-17(20)11-23(21,22)10-14-4-6-15(18)7-5-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide?
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 351.86 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 17225150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).