2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

C25H21BrN4O5S — CID 54782936

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C25H21BrN4O5S/c1-34-25-24(27-13-14-28-25)30-36(32,33)20-10-8-19(9-11-20)29-23(31)16-35-22-12-7-18(15-21(22)26)17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H,27,30)(H,29,31)
InChIKeyVHUZWBJYGXIAQF-UHFFFAOYSA-N
MW569.44 g/mol
LogP4.73
Rot. Bonds9

About 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 54782936) has the molecular formula C25H21BrN4O5S and a molecular weight of 569.44 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID54782936
Molecular FormulaC25H21BrN4O5S
Molecular Weight569.44 g/mol
Exact Mass568.04
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C25H21BrN4O5S/c1-34-25-24(27-13-14-28-25)30-36(32,33)20-10-8-19(9-11-20)29-23(31)16-35-22-12-7-18(15-21(22)26)17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H,27,30)(H,29,31)
InChIKeyVHUZWBJYGXIAQF-UHFFFAOYSA-N
XLogP4.73
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]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-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782679
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4960634
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4960662
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (CID 54782936) is 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VHUZWBJYGXIAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O5S/c1-34-25-24(27-13-14-28-25)30-36(32,33)20-10-8-19(9-11-20)29-23(31)16-35-22-12-7-18(15-21(22)26)17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H,27,30)(H,29,31).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 569.44 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 54782936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).