2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

C28H25BrN2O5S — CID 56676358

IUPAC2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)c(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(Br)ccc23)c1
InChIInChI=1S/C28H25BrN2O5S/c1-16-4-5-17(2)23(12-16)28(33)27-22-9-7-20(29)14-19(22)6-11-25(27)36-15-26(32)31-24-10-8-21(13-18(24)3)37(30,34)35/h4-14H,15H2,1-3H3,(H,31,32)(H2,30,34,35)
InChIKeyYPRPFJSUZWRNIA-UHFFFAOYSA-N
MW581.49 g/mol
LogP5.42
Rot. Bonds7

About 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 56676358) has the molecular formula C28H25BrN2O5S and a molecular weight of 581.49 g/mol. Its IUPAC name is 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID56676358
Molecular FormulaC28H25BrN2O5S
Molecular Weight581.49 g/mol
Exact Mass580.07
IUPAC Name2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(C)c(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(Br)ccc23)c1
InChIInChI=1S/C28H25BrN2O5S/c1-16-4-5-17(2)23(12-16)28(33)27-22-9-7-20(29)14-19(22)6-11-25(27)36-15-26(32)31-24-10-8-21(13-18(24)3)37(30,34)35/h4-14H,15H2,1-3H3,(H,31,32)(H2,30,34,35)
InChIKeyYPRPFJSUZWRNIA-UHFFFAOYSA-N
XLogP5.42
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-bromo-1-(3-fluorobenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56676356
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-chloro-2-[(2,4-dimethylphenyl)-hydroxymethyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56658120
2-(4-fluoro-2-naphthalen-1-yloxyphenoxy)-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 56663137
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
methyl 5-bromo-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoate
CID 19168737
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 56676358) is 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1ccc(C)c(C(=O)c2c(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3C)ccc3cc(Br)ccc23)c1.
What is the InChIKey of 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is YPRPFJSUZWRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BrN2O5S/c1-16-4-5-17(2)23(12-16)28(33)27-22-9-7-20(29)14-19(22)6-11-25(27)36-15-26(32)31-24-10-8-21(13-18(24)3)37(30,34)35/h4-14H,15H2,1-3H3,(H,31,32)(H2,30,34,35).
What are the key properties of 2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[6-bromo-1-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 581.49 g/mol, XLogP of 5.42, 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-(2,5-dimethylbenzoyl)naphthalen-2-yl]oxy-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56676358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).