N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide

C23H23BrN2O4S — CID 91938094

IUPACN-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
InChIKeyCZAFIFBJBFDMTP-UHFFFAOYSA-N
MW503.42 g/mol
LogP3.67
Rot. Bonds10

About N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide

N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 91938094) has the molecular formula C23H23BrN2O4S and a molecular weight of 503.42 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID91938094
Molecular FormulaC23H23BrN2O4S
Molecular Weight503.42 g/mol
Exact Mass502.06
IUPAC NameN-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27)
InChIKeyCZAFIFBJBFDMTP-UHFFFAOYSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1008028
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
N-Benzyl-4-(2-morpholin-4-yl-2-oxo-ethoxy)-benzenesulfonamide
CID 1088524
1-[2-[4-[Benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 1092909
N-(4-methoxybenzyl)-2-[4-(piperidin-1-ylsulfonyl)phenoxy]acetamide
CID 1252432
4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 1314518
N-(4-methylbenzyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2111388
4-[2-(4-benzyl-1-piperazinyl)-2-oxoethoxy]-N-propylbenzenesulfonamide
CID 2954987
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
2-phenoxy-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 5074530
N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126200721

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (CID 91938094) is N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is CZAFIFBJBFDMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4S/c24-20-8-6-19(7-9-20)16-25-23(27)17-30-21-10-12-22(13-11-21)31(28,29)26-15-14-18-4-2-1-3-5-18/h1-13,26H,14-17H2,(H,25,27).
What are the key properties of N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 503.42 g/mol, XLogP of 3.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 91938094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).