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

C24H25ClN2O3S — CID 28556974

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/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)/t18-/m0/s1
InChIKeyBGYDKQKGPHAVNU-SFHVURJKSA-N
MW457.00 g/mol
LogP4.63
Rot. Bonds9

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

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide (PubChem CID 28556974) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
PubChem CID28556974
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/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)/t18-/m0/s1
InChIKeyBGYDKQKGPHAVNU-SFHVURJKSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]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-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide (CID 28556974) is 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is BGYDKQKGPHAVNU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/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)/t18-/m0/s1.
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.63, 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-[(1S)-1-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 28556974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).