N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C25H27BrN2O3S — CID 43873841

IUPACN-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C25H27BrN2O3S/c1-19(22-8-5-9-23(26)18-22)28-25(29)15-12-21-10-13-24(14-11-21)32(30,31)27-17-16-20-6-3-2-4-7-20/h2-11,13-14,18-19,27H,12,15-17H2,1H3,(H,28,29)
InChIKeyDCHBEBWZIPQRID-UHFFFAOYSA-N
MW515.47 g/mol
LogP4.78
Rot. Bonds10

About N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 43873841) has the molecular formula C25H27BrN2O3S and a molecular weight of 515.47 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID43873841
Molecular FormulaC25H27BrN2O3S
Molecular Weight515.47 g/mol
Exact Mass514.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C25H27BrN2O3S/c1-19(22-8-5-9-23(26)18-22)28-25(29)15-12-21-10-13-24(14-11-21)32(30,31)27-17-16-20-6-3-2-4-7-20/h2-11,13-14,18-19,27H,12,15-17H2,1H3,(H,28,29)
InChIKeyDCHBEBWZIPQRID-UHFFFAOYSA-N
XLogP4.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
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-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 43873841) is N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is DCHBEBWZIPQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O3S/c1-19(22-8-5-9-23(26)18-22)28-25(29)15-12-21-10-13-24(14-11-21)32(30,31)27-17-16-20-6-3-2-4-7-20/h2-11,13-14,18-19,27H,12,15-17H2,1H3,(H,28,29).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 515.47 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43873841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).