N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide

C16H16ClNO4S — CID 78790672

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-3-4-12(17)9-15(11)18-16(19)10-22-13-5-7-14(8-6-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUFYDOPJNRDTJIR-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.07
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide (PubChem CID 78790672) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
PubChem CID78790672
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H16ClNO4S/c1-11-3-4-12(17)9-15(11)18-16(19)10-22-13-5-7-14(8-6-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUFYDOPJNRDTJIR-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 34193972
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(5-chloro-2-methylphenyl)acetamide
CID 126203239
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2669391
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093280
N-(5-chloro-2-methylphenyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 8833683
N-(4-chloro-2-methylphenyl)-2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3913624
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide (CID 78790672) is N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
The InChIKey is UFYDOPJNRDTJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11-3-4-12(17)9-15(11)18-16(19)10-22-13-5-7-14(8-6-13)23(2,20)21/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide has a molecular weight of 353.83 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 78790672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).