1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

C25H21NO4S — CID 110559508

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO4S/c1-29-19-12-14-20(15-13-19)30-17-16-26-24(27)22(18-8-4-2-5-9-18)23(25(26)28)31-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyOYECNKAWBPIAFZ-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.65
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione

1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110559508) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110559508
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO4S/c1-29-19-12-14-20(15-13-19)30-17-16-26-24(27)22(18-8-4-2-5-9-18)23(25(26)28)31-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyOYECNKAWBPIAFZ-UHFFFAOYSA-N
XLogP4.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110556427
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110583432
3-(4-chlorophenyl)sulfanyl-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559547
3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110546641
3-[2-hydroxyethyl(methyl)amino]-1-[2-(4-methoxyphenoxy)ethyl]-4-phenylpyrrole-2,5-dione
CID 110559500
1-(2-methoxyethyl)-3-(4-nitrophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110541447
3-(2-hydroxyethylsulfanyl)-1-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572520
3-[4-(2-methylpropoxy)phenyl]-1-pentyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110551164
3-phenylsulfanyl-4-(4-propoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110576509
1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110540970
3-(4-ethoxyphenyl)-4-hydroxy-1-[2-(4-methoxyphenoxy)ethyl]pyrrole-2,5-dione
CID 110583305
3-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110564363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione (CID 110559508) is 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is COc1ccc(OCCN2C(=O)C(Sc3ccccc3)=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is OYECNKAWBPIAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4S/c1-29-19-12-14-20(15-13-19)30-17-16-26-24(27)22(18-8-4-2-5-9-18)23(25(26)28)31-21-10-6-3-7-11-21/h2-15H,16-17H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione?
1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 431.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110559508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).