N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide

C16H15Br2NO2S — CID 26217402

IUPACN-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C16H15Br2NO2S/c1-10-7-13(17)16(14(18)8-10)19-15(20)9-21-11-3-5-12(22-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDIKOUEDBMYIFLZ-UHFFFAOYSA-N
MW445.18 g/mol
LogP5.26
Rot. Bonds5

About N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide

N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 26217402) has the molecular formula C16H15Br2NO2S and a molecular weight of 445.18 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID26217402
Molecular FormulaC16H15Br2NO2S
Molecular Weight445.18 g/mol
Exact Mass442.92
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCSc1ccc(OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C16H15Br2NO2S/c1-10-7-13(17)16(14(18)8-10)19-15(20)9-21-11-3-5-12(22-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyDIKOUEDBMYIFLZ-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.18
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 29334504
N-(2-chloro-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893677
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-(2-hydroxyethyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 63648820
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
N-[4-(difluoromethoxy)phenyl]-2-(4-methylsulfanylphenoxy)acetamide
CID 7893735
N-(4-bromo-2,6-dimethylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 1326101
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide (CID 26217402) is N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide is CSc1ccc(OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is DIKOUEDBMYIFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2S/c1-10-7-13(17)16(14(18)8-10)19-15(20)9-21-11-3-5-12(22-2)6-4-11/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 445.18 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 26217402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).