3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide

C25H28N2O3S — CID 126246447

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)27-25(28)17-10-20-8-15-24(16-9-20)31(29,30)26-18-21-6-4-3-5-7-21/h3-9,11-16,19,26H,10,17-18H2,1-2H3,(H,27,28)
InChIKeyPGPXMFGEFNEQFL-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.86
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 126246447) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID126246447
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)27-25(28)17-10-20-8-15-24(16-9-20)31(29,30)26-18-21-6-4-3-5-7-21/h3-9,11-16,19,26H,10,17-18H2,1-2H3,(H,27,28)
InChIKeyPGPXMFGEFNEQFL-UHFFFAOYSA-N
XLogP4.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4928885
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19221516
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
N-[4-(benzylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953685
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-[4-(benzylsulfamoyl)phenyl]octanamide
CID 4958608

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide (CID 126246447) is 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is PGPXMFGEFNEQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19(2)22-11-13-23(14-12-22)27-25(28)17-10-20-8-15-24(16-9-20)31(29,30)26-18-21-6-4-3-5-7-21/h3-9,11-16,19,26H,10,17-18H2,1-2H3,(H,27,28).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.86, 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 126246447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).