2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C19H22BrFN2O4S — CID 25443427

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(Br)cc2F)ccc1C
InChIInChI=1S/C19H22BrFN2O4S/c1-4-23(5-2)28(25,26)18-11-15(8-6-13(18)3)22-19(24)12-27-17-9-7-14(20)10-16(17)21/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyZWOKVICIZXXSHQ-UHFFFAOYSA-N
MW473.36 g/mol
LogP3.94
Rot. Bonds8

About 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 25443427) has the molecular formula C19H22BrFN2O4S and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID25443427
Molecular FormulaC19H22BrFN2O4S
Molecular Weight473.36 g/mol
Exact Mass472.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(Br)cc2F)ccc1C
InChIInChI=1S/C19H22BrFN2O4S/c1-4-23(5-2)28(25,26)18-11-15(8-6-13(18)3)22-19(24)12-27-17-9-7-14(20)10-16(17)21/h6-11H,4-5,12H2,1-3H3,(H,22,24)
InChIKeyZWOKVICIZXXSHQ-UHFFFAOYSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55308081
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
(E)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 3330697

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 25443427) is 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(Br)cc2F)ccc1C.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is ZWOKVICIZXXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O4S/c1-4-23(5-2)28(25,26)18-11-15(8-6-13(18)3)22-19(24)12-27-17-9-7-14(20)10-16(17)21/h6-11H,4-5,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 473.36 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 25443427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).