2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide

C18H21BrN2O4S — CID 1015592

IUPAC2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-18(2,3)21-26(23,24)16-10-6-14(7-11-16)20-17(22)12-25-15-8-4-13(19)5-9-15/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeySAPJOCQDGPEISH-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide

2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (PubChem CID 1015592) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
PubChem CID1015592
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-18(2,3)21-26(23,24)16-10-6-14(7-11-16)20-17(22)12-25-15-8-4-13(19)5-9-15/h4-11,21H,12H2,1-3H3,(H,20,22)
InChIKeySAPJOCQDGPEISH-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093244
[2-(4-bromoanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate
CID 31656164
2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17188894
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17095347
2-[4-(tert-butylsulfamoyl)phenoxy]acetate
CID 7321312
N-(4-bromophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093191
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 9108432

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide (CID 1015592) is 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
The InChIKey is SAPJOCQDGPEISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-18(2,3)21-26(23,24)16-10-6-14(7-11-16)20-17(22)12-25-15-8-4-13(19)5-9-15/h4-11,21H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide?
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide has a molecular weight of 441.35 g/mol, XLogP of 3.54, 6 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-(tert-butylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1015592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).