2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

C26H20BrFN2O5S — CID 56676356

IUPAC2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1C(=O)c1cccc(F)c1
InChIInChI=1S/C26H20BrFN2O5S/c1-15-11-20(36(29,33)34)7-9-22(15)30-24(31)14-35-23-10-5-16-12-18(27)6-8-21(16)25(23)26(32)17-3-2-4-19(28)13-17/h2-13H,14H2,1H3,(H,30,31)(H2,29,33,34)
InChIKeyILLUNXMHIUTHDJ-UHFFFAOYSA-N
MW571.42 g/mol
LogP4.95
Rot. Bonds7

About 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 56676356) has the molecular formula C26H20BrFN2O5S and a molecular weight of 571.42 g/mol. Its IUPAC name is 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID56676356
Molecular FormulaC26H20BrFN2O5S
Molecular Weight571.42 g/mol
Exact Mass570.03
IUPAC Name2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1C(=O)c1cccc(F)c1
InChIInChI=1S/C26H20BrFN2O5S/c1-15-11-20(36(29,33)34)7-9-22(15)30-24(31)14-35-23-10-5-16-12-18(27)6-8-21(16)25(23)26(32)17-3-2-4-19(28)13-17/h2-13H,14H2,1H3,(H,30,31)(H2,29,33,34)
InChIKeyILLUNXMHIUTHDJ-UHFFFAOYSA-N
XLogP4.95
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.42
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676358
2-[6-cyano-1-(3-methylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56669534
2-[2-(5-bromonaphthalen-2-yl)oxy-4-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 71592070
2-(4-fluoro-2-naphthalen-1-yloxyphenoxy)-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56663137
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-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 56676356) is 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc2cc(Br)ccc2c1C(=O)c1cccc(F)c1.
What is the InChIKey of 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is ILLUNXMHIUTHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrFN2O5S/c1-15-11-20(36(29,33)34)7-9-22(15)30-24(31)14-35-23-10-5-16-12-18(27)6-8-21(16)25(23)26(32)17-3-2-4-19(28)13-17/h2-13H,14H2,1H3,(H,30,31)(H2,29,33,34).
What are the key properties of 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 571.42 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56676356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).