5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

C20H15N3O8S2 — CID 123241465

IUPAC5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione
SMILESCCC1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C20H15N3O8S2/c1-2-13-16(17(24)14-4-3-9-31-14)18(25)19(26)22(13)20-21-10-15(32-20)33(29,30)12-7-5-11(6-8-12)23(27)28/h3-10,13,16H,2H2,1H3
InChIKeyPGDDFHGNMVWMFP-UHFFFAOYSA-N
MW489.49 g/mol
LogP2.67
Rot. Bonds7

About 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione (PubChem CID 123241465) has the molecular formula C20H15N3O8S2 and a molecular weight of 489.49 g/mol. Its IUPAC name is 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione
PubChem CID123241465
Molecular FormulaC20H15N3O8S2
Molecular Weight489.49 g/mol
Exact Mass489.03
IUPAC Name5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione
SMILESCCC1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C20H15N3O8S2/c1-2-13-16(17(24)14-4-3-9-31-14)18(25)19(26)22(13)20-21-10-15(32-20)33(29,30)12-7-5-11(6-8-12)23(27)28/h3-10,13,16H,2H2,1H3
InChIKeyPGDDFHGNMVWMFP-UHFFFAOYSA-N
XLogP2.67
TPSA157.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione?
The IUPAC name of 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione (CID 123241465) is 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione.
What is the SMILES notation for 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione?
The canonical SMILES for 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione is CCC1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione?
The InChIKey is PGDDFHGNMVWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O8S2/c1-2-13-16(17(24)14-4-3-9-31-14)18(25)19(26)22(13)20-21-10-15(32-20)33(29,30)12-7-5-11(6-8-12)23(27)28/h3-10,13,16H,2H2,1H3.
What are the key properties of 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione?
5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione has a molecular weight of 489.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(furan-2-carbonyl)-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione is sourced from PubChem (CID 123241465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).