5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one

C33H31NO2S — CID 10649226

IUPAC5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCCSc1ccccc1
InChIInChI=1S/C33H31NO2S/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2
InChIKeyHCMCPZPWTBVGNM-UHFFFAOYSA-N
MW505.68 g/mol
LogP7.25
Rot. Bonds10

About 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one

5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one (PubChem CID 10649226) has the molecular formula C33H31NO2S and a molecular weight of 505.68 g/mol. Its IUPAC name is 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one
PubChem CID10649226
Molecular FormulaC33H31NO2S
Molecular Weight505.68 g/mol
Exact Mass505.21
IUPAC Name5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCCSc1ccccc1
InChIInChI=1S/C33H31NO2S/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2
InChIKeyHCMCPZPWTBVGNM-UHFFFAOYSA-N
XLogP7.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.68
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-({[Benzyl(ethyl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2361989
1-Benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
CID 72545892
5-Hydroxy-3,5-diphenyl-1-(3-phenylpropyl)pyrrol-2-one
CID 102236118
N,N-dibenzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917561
(5S)-1-benzyl-5-hydroxy-3,5-diphenylpyrrol-2-one
CID 139037852
1-Benzoyl-4-hydroxy-4-[2-(4-methylphenylsulfanyl)phenyl]piperidine
CID 58174493
2-[2-[4-[4-[[Benzoyl(hydroxy)amino]methyl]phenyl]phenyl]-2-oxoethyl]sulfanylbenzoic acid
CID 58797837
2-[4-[[(4-Methylsulfanylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66774974
1-Butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one
CID 10221580
(2S,3R)-N,N-dibenzyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
CID 10504448
7a-Hydroxy-3-phenyl-1-(5-phenylsulfanylpentyl)-4,5,6,7-tetrahydroindol-2-one
CID 10621398
5-Hydroxy-3,4,5-triphenyl-1-(5-phenylselanylpentyl)pyrrol-2-one
CID 10674260

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one?
The IUPAC name of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one (CID 10649226) is 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one.
What is the SMILES notation for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one?
The canonical SMILES for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one is O=C1C(c2ccccc2)=C(c2ccccc2)C(O)(c2ccccc2)N1CCCCCSc1ccccc1.
What is the InChIKey of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one?
The InChIKey is HCMCPZPWTBVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO2S/c35-32-30(26-16-6-1-7-17-26)31(27-18-8-2-9-19-27)33(36,28-20-10-3-11-21-28)34(32)24-14-5-15-25-37-29-22-12-4-13-23-29/h1-4,6-13,16-23,36H,5,14-15,24-25H2.
What are the key properties of 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one?
5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one has a molecular weight of 505.68 g/mol, XLogP of 7.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4,5-triphenyl-1-(5-phenylsulfanylpentyl)pyrrol-2-one is sourced from PubChem (CID 10649226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).