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

C25H27BrN2O3S — CID 43873824

IUPACN-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C25H27BrN2O3S/c1-18(22-9-6-10-23(26)17-22)27-25(29)16-13-20-11-14-24(15-12-20)32(30,31)28-19(2)21-7-4-3-5-8-21/h3-12,14-15,17-19,28H,13,16H2,1-2H3,(H,27,29)
InChIKeyNJTQYTJCHZEUMQ-UHFFFAOYSA-N
MW515.47 g/mol
LogP5.30
Rot. Bonds9

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

N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 43873824) 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-(1-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID43873824
Molecular FormulaC25H27BrN2O3S
Molecular Weight515.47 g/mol
Exact Mass514.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C25H27BrN2O3S/c1-18(22-9-6-10-23(26)17-22)27-25(29)16-13-20-11-14-24(15-12-20)32(30,31)28-19(2)21-7-4-3-5-8-21/h3-12,14-15,17-19,28H,13,16H2,1-2H3,(H,27,29)
InChIKeyNJTQYTJCHZEUMQ-UHFFFAOYSA-N
XLogP5.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.47
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
N-[1-(3-bromophenyl)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 43873920
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide (CID 43873824) is N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is NJTQYTJCHZEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O3S/c1-18(22-9-6-10-23(26)17-22)27-25(29)16-13-20-11-14-24(15-12-20)32(30,31)28-19(2)21-7-4-3-5-8-21/h3-12,14-15,17-19,28H,13,16H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide?
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 515.47 g/mol, XLogP of 5.30, 9 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-(1-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43873824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).