4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide

C21H25BrN2O4S — CID 26423118

IUPAC4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-3-24(4-2)29(27,28)19-11-5-16(6-12-19)15-23-21(26)14-13-20(25)17-7-9-18(22)10-8-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyYILAZVLFGHEUQO-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.76
Rot. Bonds10

About 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide

4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide (PubChem CID 26423118) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
PubChem CID26423118
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC Name4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-3-24(4-2)29(27,28)19-11-5-16(6-12-19)15-23-21(26)14-13-20(25)17-7-9-18(22)10-8-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)
InChIKeyYILAZVLFGHEUQO-UHFFFAOYSA-N
XLogP3.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372050
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
CID 55778771
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24549159

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide (CID 26423118) is 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide?
The InChIKey is YILAZVLFGHEUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-3-24(4-2)29(27,28)19-11-5-16(6-12-19)15-23-21(26)14-13-20(25)17-7-9-18(22)10-8-17/h5-12H,3-4,13-15H2,1-2H3,(H,23,26).
What are the key properties of 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide?
4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide has a molecular weight of 481.41 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 26423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).