3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione

C19H19NO3S — CID 110578265

IUPAC3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(C)cc2C)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H19NO3S/c1-4-24-17-16(15-8-7-12(2)10-13(15)3)18(21)20(19(17)22)11-14-6-5-9-23-14/h5-10H,4,11H2,1-3H3
InChIKeyUXXDSBDJOVGKQK-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.93
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione (PubChem CID 110578265) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione
PubChem CID110578265
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(C)cc2C)C(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C19H19NO3S/c1-4-24-17-16(15-8-7-12(2)10-13(15)3)18(21)20(19(17)22)11-14-6-5-9-23-14/h5-10H,4,11H2,1-3H3
InChIKeyUXXDSBDJOVGKQK-UHFFFAOYSA-N
XLogP3.93
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.93
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

3-benzylsulfanyl-4-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110578268
1-butyl-3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110578475
3-ethylsulfanyl-1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565616
1-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110578203
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110578260
1-(furan-2-ylmethyl)-3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572160
1-cyclohexyl-3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110578711
3-(2,4-dimethylphenyl)-4-(furan-2-ylmethylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579459
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110580585
3-(2,4-dimethylphenyl)-1-(4-ethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110579643
3-(2,4-dimethylphenyl)-4-(2-hydroxyethylsulfanyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110578184
3-(2,5-dimethylanilino)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600521

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione (CID 110578265) is 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione is CCSC1=C(c2ccc(C)cc2C)C(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
The InChIKey is UXXDSBDJOVGKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-4-24-17-16(15-8-7-12(2)10-13(15)3)18(21)20(19(17)22)11-14-6-5-9-23-14/h5-10H,4,11H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione has a molecular weight of 341.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110578265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).