(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine

C24H23NO3S — CID 122398406

IUPAC(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
SMILESC=C[C@@]1(c2ccccc2)CO[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO3S/c1-3-24(21-12-8-5-9-13-21)18-28-23(20-10-6-4-7-11-20)25(24)29(26,27)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3/t23-,24+/m1/s1
InChIKeyOQJWJGLVBVUXQO-RPWUZVMVSA-N
MW405.52 g/mol
LogP4.80
Rot. Bonds5

About (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine

(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine (PubChem CID 122398406) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
PubChem CID122398406
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
SMILESC=C[C@@]1(c2ccccc2)CO[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO3S/c1-3-24(21-12-8-5-9-13-21)18-28-23(20-10-6-4-7-11-20)25(24)29(26,27)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3/t23-,24+/m1/s1
InChIKeyOQJWJGLVBVUXQO-RPWUZVMVSA-N
XLogP4.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine (CID 122398406) is (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine is C=C[C@@]1(c2ccccc2)CO[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
The InChIKey is OQJWJGLVBVUXQO-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-3-24(21-12-8-5-9-13-21)18-28-23(20-10-6-4-7-11-20)25(24)29(26,27)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3/t23-,24+/m1/s1.
What are the key properties of (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine?
(2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine has a molecular weight of 405.52 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethenyl-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine is sourced from PubChem (CID 122398406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).