N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide

C20H25BrN2O4S — CID 43873232

IUPACN-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-14(2)12-22-28(25,26)19-10-8-18(9-11-19)27-13-20(24)23-15(3)16-4-6-17(21)7-5-16/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyXZISLVFEPVRKMP-UHFFFAOYSA-N
MW469.40 g/mol
LogP3.64
Rot. Bonds9

About N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 43873232) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID43873232
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O4S/c1-14(2)12-22-28(25,26)19-10-8-18(9-11-19)27-13-20(24)23-15(3)16-4-6-17(21)7-5-16/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyXZISLVFEPVRKMP-UHFFFAOYSA-N
XLogP3.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 43873215
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28553480
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 28552865
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893
N-(3,5-dimethylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126204216
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 43873232) is N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NC(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is XZISLVFEPVRKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-14(2)12-22-28(25,26)19-10-8-18(9-11-19)27-13-20(24)23-15(3)16-4-6-17(21)7-5-16/h4-11,14-15,22H,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 469.40 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 43873232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).