4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

C25H24N2O5S — CID 91808595

IUPAC4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(-c3ccon3)cc2)C(C2CCCCC2)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O5S/c28-23-24(33(30,31)20-9-5-2-6-10-20)22(18-7-3-1-4-8-18)27(25(23)29)19-13-11-17(12-14-19)21-15-16-32-26-21/h2,5-6,9-16,18,22,24H,1,3-4,7-8H2
InChIKeyBUKRPEXAGIAUJK-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.05
Rot. Bonds5

About 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione

4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (PubChem CID 91808595) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
PubChem CID91808595
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(-c3ccon3)cc2)C(C2CCCCC2)C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O5S/c28-23-24(33(30,31)20-9-5-2-6-10-20)22(18-7-3-1-4-8-18)27(25(23)29)19-13-11-17(12-14-19)21-15-16-32-26-21/h2,5-6,9-16,18,22,24H,1,3-4,7-8H2
InChIKeyBUKRPEXAGIAUJK-UHFFFAOYSA-N
XLogP4.05
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The IUPAC name of 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione (CID 91808595) is 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The canonical SMILES for 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is O=C1C(=O)N(c2ccc(-c3ccon3)cc2)C(C2CCCCC2)C1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
The InChIKey is BUKRPEXAGIAUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c28-23-24(33(30,31)20-9-5-2-6-10-20)22(18-7-3-1-4-8-18)27(25(23)29)19-13-11-17(12-14-19)21-15-16-32-26-21/h2,5-6,9-16,18,22,24H,1,3-4,7-8H2.
What are the key properties of 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione?
4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione has a molecular weight of 464.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5-cyclohexyl-1-[4-(1,2-oxazol-3-yl)phenyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 91808595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).