2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide

C22H18BrN3O4S — CID 100800638

IUPAC2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H18BrN3O4S/c23-17-3-7-19(8-4-17)26-31(28,29)21-11-9-20(10-12-21)30-15-22(27)25-18-5-1-16(2-6-18)13-14-24/h1-12,26H,13,15H2,(H,25,27)
InChIKeySPMZGNCNZVAVNA-UHFFFAOYSA-N
MW500.37 g/mol
LogP4.33
Rot. Bonds8

About 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide

2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 100800638) has the molecular formula C22H18BrN3O4S and a molecular weight of 500.37 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID100800638
Molecular FormulaC22H18BrN3O4S
Molecular Weight500.37 g/mol
Exact Mass499.02
IUPAC Name2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H18BrN3O4S/c23-17-3-7-19(8-4-17)26-31(28,29)21-11-9-20(10-12-21)30-15-22(27)25-18-5-1-16(2-6-18)13-14-24/h1-12,26H,13,15H2,(H,25,27)
InChIKeySPMZGNCNZVAVNA-UHFFFAOYSA-N
XLogP4.33
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55346018
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 8941088
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 92673900
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
N-(4-bromophenyl)-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 1287541

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide (CID 100800638) is 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is SPMZGNCNZVAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O4S/c23-17-3-7-19(8-4-17)26-31(28,29)21-11-9-20(10-12-21)30-15-22(27)25-18-5-1-16(2-6-18)13-14-24/h1-12,26H,13,15H2,(H,25,27).
What are the key properties of 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide?
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 500.37 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 100800638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).