3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione

C24H19NO2S — CID 110558837

IUPAC3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H19NO2S/c26-23-21(19-12-6-2-7-13-19)22(28-20-14-8-3-9-15-20)24(27)25(23)17-16-18-10-4-1-5-11-18/h1-15H,16-17H2
InChIKeyNHQDFBNSYVCGTA-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.80
Rot. Bonds6

About 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione

3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110558837) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110558837
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione
SMILESO=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/C24H19NO2S/c26-23-21(19-12-6-2-7-13-19)22(28-20-14-8-3-9-15-20)24(27)25(23)17-16-18-10-4-1-5-11-18/h1-15H,16-17H2
InChIKeyNHQDFBNSYVCGTA-UHFFFAOYSA-N
XLogP4.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11682175
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6-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10450498
N-benzyl-4-methylsulfonyl-N-(2-phenylethyl)benzamide
CID 18084040
N-benzyl-2-methylsulfonyl-N-(2-phenylethyl)benzamide
CID 24685937
6,7-bis(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44291187
7-(4-methylsulfanylphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 44586076
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
CID 4787633
3,4-Diphenyl-1-(2-phenylethyl)pyrrole-2,5-dione
CID 9975382
1-Benzyl-3,4-diphenyl-1h-pyrrole-2,5-dione
CID 12587794
3,4-Diphenyl-1-(3-phenylpropyl)pyrrole-2,5-dione
CID 54581057

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione (CID 110558837) is 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione is O=C1C(Sc2ccccc2)=C(c2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is NHQDFBNSYVCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c26-23-21(19-12-6-2-7-13-19)22(28-20-14-8-3-9-15-20)24(27)25(23)17-16-18-10-4-1-5-11-18/h1-15H,16-17H2.
What are the key properties of 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione?
3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 385.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(2-phenylethyl)-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110558837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).