1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione

C20H18FNO4S — CID 110545361

IUPAC1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C20H18FNO4S/c1-4-27-18-17(12-5-7-13(21)8-6-12)19(23)22(20(18)24)15-10-9-14(25-2)11-16(15)26-3/h5-11H,4H2,1-3H3
InChIKeyGUTPVYDEAZRFCQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.88
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione

1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110545361) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110545361
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C20H18FNO4S/c1-4-27-18-17(12-5-7-13(21)8-6-12)19(23)22(20(18)24)15-10-9-14(25-2)11-16(15)26-3/h5-11H,4H2,1-3H3
InChIKeyGUTPVYDEAZRFCQ-UHFFFAOYSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.88
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-(3,5-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110555638
3-(4-chlorophenyl)-1-(2,4-difluorophenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110571426
1-(5-chloro-2-methylphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544849
1-(2,5-difluorophenyl)-3-ethylsulfanyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577792
1-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587141
1-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110546097
1-(3-chlorophenyl)-3-ethylsulfanyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557640
1-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110547802
3-(3,4-dimethoxyphenyl)-4-ethylsulfanyl-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110564667
1-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582438
3-(3,4-dimethylphenyl)-4-ethylsulfanyl-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110548219
1-(2,4-dimethylphenyl)-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574520

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110545361) is 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione is CCSC1=C(c2ccc(F)cc2)C(=O)N(c2ccc(OC)cc2OC)C1=O.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is GUTPVYDEAZRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-4-27-18-17(12-5-7-13(21)8-6-12)19(23)22(20(18)24)15-10-9-14(25-2)11-16(15)26-3/h5-11H,4H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione?
1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 387.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110545361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).