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

C24H25BrN2O3S — CID 28557015

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H25BrN2O3S/c1-18(21-8-5-9-22(25)16-21)27-24(28)15-12-19-10-13-23(14-11-19)31(29,30)26-17-20-6-3-2-4-7-20/h2-11,13-14,16,18,26H,12,15,17H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyLOBMRWWTDXTMAT-SFHVURJKSA-N
MW501.45 g/mol
LogP4.74
Rot. Bonds9

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

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide (PubChem CID 28557015) has the molecular formula C24H25BrN2O3S and a molecular weight of 501.45 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
PubChem CID28557015
Molecular FormulaC24H25BrN2O3S
Molecular Weight501.45 g/mol
Exact Mass500.08
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H25BrN2O3S/c1-18(21-8-5-9-22(25)16-21)27-24(28)15-12-19-10-13-23(14-11-19)31(29,30)26-17-20-6-3-2-4-7-20/h2-11,13-14,16,18,26H,12,15,17H2,1H3,(H,27,28)/t18-/m0/s1
InChIKeyLOBMRWWTDXTMAT-SFHVURJKSA-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

N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 43906454
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(3-bromophenyl)ethyl]acetamide
CID 28555179
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide (CID 28557015) is 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide?
The InChIKey is LOBMRWWTDXTMAT-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25BrN2O3S/c1-18(21-8-5-9-22(25)16-21)27-24(28)15-12-19-10-13-23(14-11-19)31(29,30)26-17-20-6-3-2-4-7-20/h2-11,13-14,16,18,26H,12,15,17H2,1H3,(H,27,28)/t18-/m0/s1.
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-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-[(1S)-1-(3-bromophenyl)ethyl]propanamide is sourced from PubChem (CID 28557015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).