3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide

C24H25BrN2O3S — CID 43873845

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H25BrN2O3S/c1-18(21-10-12-22(25)13-11-21)27-24(28)16-9-19-7-14-23(15-8-19)31(29,30)26-17-20-5-3-2-4-6-20/h2-8,10-15,18,26H,9,16-17H2,1H3,(H,27,28)
InChIKeyZTYKXPMAVZMFEV-UHFFFAOYSA-N
MW501.45 g/mol
LogP4.74
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide (PubChem CID 43873845) has the molecular formula C24H25BrN2O3S and a molecular weight of 501.45 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
PubChem CID43873845
Molecular FormulaC24H25BrN2O3S
Molecular Weight501.45 g/mol
Exact Mass500.08
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C24H25BrN2O3S/c1-18(21-10-12-22(25)13-11-21)27-24(28)16-9-19-7-14-23(15-8-19)31(29,30)26-17-20-5-3-2-4-6-20/h2-8,10-15,18,26H,9,16-17H2,1H3,(H,27,28)
InChIKeyZTYKXPMAVZMFEV-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[1-(4-bromophenyl)ethyl]acetamide
CID 43873557
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide (CID 43873845) is 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide?
The InChIKey is ZTYKXPMAVZMFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3S/c1-18(21-10-12-22(25)13-11-21)27-24(28)16-9-19-7-14-23(15-8-19)31(29,30)26-17-20-5-3-2-4-6-20/h2-8,10-15,18,26H,9,16-17H2,1H3,(H,27,28).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide has a molecular weight of 501.45 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide is sourced from PubChem (CID 43873845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).