2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

C23H23BrN2O4S — CID 4960689

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16(2)26-31(28,29)20-11-9-19(10-12-20)25-23(27)15-30-22-13-8-18(14-21(22)24)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyLOSVZQNKWQSSHV-UHFFFAOYSA-N
MW503.42 g/mol
LogP4.82
Rot. Bonds8

About 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 4960689) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID4960689
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c1-16(2)26-31(28,29)20-11-9-19(10-12-20)25-23(27)15-30-22-13-8-18(14-21(22)24)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyLOSVZQNKWQSSHV-UHFFFAOYSA-N
XLogP4.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4960662
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782936
2-(2-bromo-4-phenylphenoxy)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 4960634
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4960655
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
2-(2-tert-butylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17050661
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 4960734

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 4960689) is 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is LOSVZQNKWQSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c1-16(2)26-31(28,29)20-11-9-19(10-12-20)25-23(27)15-30-22-13-8-18(14-21(22)24)17-6-4-3-5-7-17/h3-14,16,26H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 503.42 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4960689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).