1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

C19H19NO2S2 — CID 110554449

IUPAC1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(SC(C)C)=C(c3cccs3)C2=O)c1C
InChIInChI=1S/C19H19NO2S2/c1-11(2)24-17-16(15-9-6-10-23-15)18(21)20(19(17)22)14-8-5-7-12(3)13(14)4/h5-11H,1-4H3
InChIKeyFNJRHVWONMWHIB-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.79
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione

1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110554449) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110554449
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCc1cccc(N2C(=O)C(SC(C)C)=C(c3cccs3)C2=O)c1C
InChIInChI=1S/C19H19NO2S2/c1-11(2)24-17-16(15-9-6-10-23-15)18(21)20(19(17)22)14-8-5-7-12(3)13(14)4/h5-11H,1-4H3
InChIKeyFNJRHVWONMWHIB-UHFFFAOYSA-N
XLogP4.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione (CID 110554449) is 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is Cc1cccc(N2C(=O)C(SC(C)C)=C(c3cccs3)C2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is FNJRHVWONMWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-11(2)24-17-16(15-9-6-10-23-15)18(21)20(19(17)22)14-8-5-7-12(3)13(14)4/h5-11H,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione?
1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 357.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-propan-2-ylsulfanyl-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110554449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).