N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide

C17H18ClNO4S — CID 55733108

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cccc(S(C)(=O)=O)c2)c(Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-11-7-12(2)17(15(18)8-11)19-16(20)10-23-13-5-4-6-14(9-13)24(3,21)22/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJGNVFQUIHBKELW-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.38
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide (PubChem CID 55733108) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
PubChem CID55733108
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide
SMILESCc1cc(C)c(NC(=O)COc2cccc(S(C)(=O)=O)c2)c(Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-11-7-12(2)17(15(18)8-11)19-16(20)10-23-13-5-4-6-14(9-13)24(3,21)22/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyJGNVFQUIHBKELW-UHFFFAOYSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 112998277
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 110884930
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884676
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide (CID 55733108) is N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide is Cc1cc(C)c(NC(=O)COc2cccc(S(C)(=O)=O)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide?
The InChIKey is JGNVFQUIHBKELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-11-7-12(2)17(15(18)8-11)19-16(20)10-23-13-5-4-6-14(9-13)24(3,21)22/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide has a molecular weight of 367.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylsulfonylphenoxy)acetamide is sourced from PubChem (CID 55733108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).