2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C21H26BrClN2O5S — CID 19203124

IUPAC2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1
InChIInChI=1S/C21H26BrClN2O5S/c1-6-25(7-2)31(27,28)15-8-9-17(29-5)16(11-15)24-19(26)12-30-18-10-13(3)21(23)14(4)20(18)22/h8-11H,6-7,12H2,1-5H3,(H,24,26)
InChIKeyDQTZRMZVTNYAFD-UHFFFAOYSA-N
MW533.87 g/mol
LogP4.78
Rot. Bonds9

About 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 19203124) has the molecular formula C21H26BrClN2O5S and a molecular weight of 533.87 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID19203124
Molecular FormulaC21H26BrClN2O5S
Molecular Weight533.87 g/mol
Exact Mass532.04
IUPAC Name2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1
InChIInChI=1S/C21H26BrClN2O5S/c1-6-25(7-2)31(27,28)15-8-9-17(29-5)16(11-15)24-19(26)12-30-18-10-13(3)21(23)14(4)20(18)22/h8-11H,6-7,12H2,1-5H3,(H,24,26)
InChIKeyDQTZRMZVTNYAFD-UHFFFAOYSA-N
XLogP4.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19201755
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2969227
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 19203124) is 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cc(C)c(Cl)c(C)c2Br)c1.
What is the InChIKey of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is DQTZRMZVTNYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrClN2O5S/c1-6-25(7-2)31(27,28)15-8-9-17(29-5)16(11-15)24-19(26)12-30-18-10-13(3)21(23)14(4)20(18)22/h8-11H,6-7,12H2,1-5H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 533.87 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 19203124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).