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

C25H28N2O3S — CID 4166860

IUPACN-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-20(23-10-6-3-7-11-23)27-25(28)17-14-22-12-15-24(16-13-22)31(29,30)26-19-18-21-8-4-2-5-9-21/h2-13,15-16,20,26H,14,17-19H2,1H3,(H,27,28)
InChIKeyUVCQCPULRMNMTR-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.02
Rot. Bonds10

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

N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 4166860) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID4166860
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O3S/c1-20(23-10-6-3-7-11-23)27-25(28)17-14-22-12-15-24(16-13-22)31(29,30)26-19-18-21-8-4-2-5-9-21/h2-13,15-16,20,26H,14,17-19H2,1H3,(H,27,28)
InChIKeyUVCQCPULRMNMTR-UHFFFAOYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.02
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
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556860
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
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
3-(benzenesulfonamido)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43005594

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 4166860) is N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is CC(NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is UVCQCPULRMNMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-20(23-10-6-3-7-11-23)27-25(28)17-14-22-12-15-24(16-13-22)31(29,30)26-19-18-21-8-4-2-5-9-21/h2-13,15-16,20,26H,14,17-19H2,1H3,(H,27,28).
What are the key properties of N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 436.58 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4166860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).