2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

C21H19BrN2O4S — CID 55346018

IUPAC2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-6-17(7-9-18)23-21(25)14-28-19-10-4-16(22)5-11-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeySPWQGLOVEYHIQD-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide

2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55346018) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID55346018
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-6-17(7-9-18)23-21(25)14-28-19-10-4-16(22)5-11-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeySPWQGLOVEYHIQD-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800638
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28554113
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3335187

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 55346018) is 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is SPWQGLOVEYHIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-15-2-12-20(13-3-15)29(26,27)24-18-8-6-17(7-9-18)23-21(25)14-28-19-10-4-16(22)5-11-19/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide?
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 475.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55346018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).