2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C25H20BrFN2O5S — CID 71592070

IUPAC2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(F)cc1Oc1ccc2c(Br)cccc2c1
InChIInChI=1S/C25H20BrFN2O5S/c1-15-11-19(35(28,31)32)7-9-22(15)29-25(30)14-33-23-10-5-17(27)13-24(23)34-18-6-8-20-16(12-18)3-2-4-21(20)26/h2-13H,14H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyKKWXVBQPLXPHIG-UHFFFAOYSA-N
MW559.41 g/mol
LogP5.51
Rot. Bonds7

About 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 71592070) has the molecular formula C25H20BrFN2O5S and a molecular weight of 559.41 g/mol. Its IUPAC name is 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID71592070
Molecular FormulaC25H20BrFN2O5S
Molecular Weight559.41 g/mol
Exact Mass558.03
IUPAC Name2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(F)cc1Oc1ccc2c(Br)cccc2c1
InChIInChI=1S/C25H20BrFN2O5S/c1-15-11-19(35(28,31)32)7-9-22(15)29-25(30)14-33-23-10-5-17(27)13-24(23)34-18-6-8-20-16(12-18)3-2-4-21(20)26/h2-13H,14H2,1H3,(H,29,30)(H2,28,31,32)
InChIKeyKKWXVBQPLXPHIG-UHFFFAOYSA-N
XLogP5.51
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.41
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-naphthalen-1-yloxyphenoxy)-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56663137
2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676356
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676358
2-[4-chloro-2-[(3-fluorophenyl)-hydroxymethyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56682035
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56669534
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141449
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 71592070) is 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(F)cc1Oc1ccc2c(Br)cccc2c1.
What is the InChIKey of 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is KKWXVBQPLXPHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrFN2O5S/c1-15-11-19(35(28,31)32)7-9-22(15)29-25(30)14-33-23-10-5-17(27)13-24(23)34-18-6-8-20-16(12-18)3-2-4-21(20)26/h2-13H,14H2,1H3,(H,29,30)(H2,28,31,32).
What are the key properties of 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 559.41 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 71592070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).