2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

C21H27BrN2O5S — CID 19203120

IUPAC2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C21H27BrN2O5S/c1-5-15-12-16(22)8-10-19(15)29-14-21(25)23-18-13-17(9-11-20(18)28-4)30(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyKRMJHVPIACQXAA-UHFFFAOYSA-N
MW499.43 g/mol
LogP4.07
Rot. Bonds10

About 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide

2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 19203120) has the molecular formula C21H27BrN2O5S and a molecular weight of 499.43 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID19203120
Molecular FormulaC21H27BrN2O5S
Molecular Weight499.43 g/mol
Exact Mass498.08
IUPAC Name2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCCc1cc(Br)ccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C21H27BrN2O5S/c1-5-15-12-16(22)8-10-19(15)29-14-21(25)23-18-13-17(9-11-20(18)28-4)30(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyKRMJHVPIACQXAA-UHFFFAOYSA-N
XLogP4.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203124
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19180442
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421
2-(2-chloro-4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55404926
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180438
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 19203120) is 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is CCc1cc(Br)ccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC.
What is the InChIKey of 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is KRMJHVPIACQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O5S/c1-5-15-12-16(22)8-10-19(15)29-14-21(25)23-18-13-17(9-11-20(18)28-4)30(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 499.43 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 19203120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).