3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione

C20H19NO3S — CID 110546641

IUPAC3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Sc3ccccc3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-3-21-19(22)17(14-10-12-15(13-11-14)24-4-2)18(20(21)23)25-16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3
InChIKeyHHFTZAFEQPWYNS-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.98
Rot. Bonds6

About 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione (PubChem CID 110546641) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
PubChem CID110546641
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Sc3ccccc3)C(=O)N(CC)C2=O)cc1
InChIInChI=1S/C20H19NO3S/c1-3-21-19(22)17(14-10-12-15(13-11-14)24-4-2)18(20(21)23)25-16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3
InChIKeyHHFTZAFEQPWYNS-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572455
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110547658
1-[4-(dimethylamino)phenyl]-3-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110546163
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110559442
3-(4-chlorophenyl)sulfanyl-1-ethyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551265
1-[2-(4-methoxyphenoxy)ethyl]-3-phenyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110559508
3-[4-(2-methylpropoxy)phenyl]-1-pentyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110551164
3-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550036
3-phenylsulfanyl-4-(4-propoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110576509
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110556427
1-benzyl-3-(4-ethoxyphenyl)-4-propan-2-ylsulfanylpyrrole-2,5-dione
CID 110546496
3-[benzyl(ethyl)amino]-4-(4-ethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110546629

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione (CID 110546641) is 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione is CCOc1ccc(C2=C(Sc3ccccc3)C(=O)N(CC)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione?
The InChIKey is HHFTZAFEQPWYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-3-21-19(22)17(14-10-12-15(13-11-14)24-4-2)18(20(21)23)25-16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione has a molecular weight of 353.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-ethyl-4-phenylsulfanylpyrrole-2,5-dione is sourced from PubChem (CID 110546641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).