N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

C23H22BrClN2O5S — CID 43873751

IUPACN-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(Br)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H22BrClN2O5S/c1-15(16-3-5-17(24)6-4-16)26-23(28)14-32-22-12-11-20(13-21(22)25)33(29,30)27-18-7-9-19(31-2)10-8-18/h3-13,15,27H,14H2,1-2H3,(H,26,28)
InChIKeyFCZQPFMHODMXSI-UHFFFAOYSA-N
MW553.86 g/mol
LogP5.17
Rot. Bonds9

About N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 43873751) has the molecular formula C23H22BrClN2O5S and a molecular weight of 553.86 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID43873751
Molecular FormulaC23H22BrClN2O5S
Molecular Weight553.86 g/mol
Exact Mass552.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(Br)cc3)c(Cl)c2)cc1
InChIInChI=1S/C23H22BrClN2O5S/c1-15(16-3-5-17(24)6-4-16)26-23(28)14-32-22-12-11-20(13-21(22)25)33(29,30)27-18-7-9-19(31-2)10-8-18/h3-13,15,27H,14H2,1-2H3,(H,26,28)
InChIKeyFCZQPFMHODMXSI-UHFFFAOYSA-N
XLogP5.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.86
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402291
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]acetamide
CID 28556276
2-[4-(butylsulfamoyl)-2-chlorophenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28556446
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284
N-[1-(4-methoxyphenyl)ethyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 43873615
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 94861649
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553030
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 43906348

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (CID 43873751) is N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(Br)cc3)c(Cl)c2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is FCZQPFMHODMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN2O5S/c1-15(16-3-5-17(24)6-4-16)26-23(28)14-32-22-12-11-20(13-21(22)25)33(29,30)27-18-7-9-19(31-2)10-8-18/h3-13,15,27H,14H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 553.86 g/mol, XLogP of 5.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[2-chloro-4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 43873751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).