ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate

C20H20O5S — CID 10523315

IUPACethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate
SMILESC=C1CO[C@H](c2ccccc2)[C@@]1(C(=O)OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O5S/c1-3-24-19(21)20(26(22,23)17-12-8-5-9-13-17)15(2)14-25-18(20)16-10-6-4-7-11-16/h4-13,18H,2-3,14H2,1H3/t18-,20+/m1/s1
InChIKeyRNNNNBDIEPDYHZ-QUCCMNQESA-N
MW372.44 g/mol
LogP3.09
Rot. Bonds5

About ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate

ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate (PubChem CID 10523315) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate
PubChem CID10523315
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Nameethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate
SMILESC=C1CO[C@H](c2ccccc2)[C@@]1(C(=O)OCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O5S/c1-3-24-19(21)20(26(22,23)17-12-8-5-9-13-17)15(2)14-25-18(20)16-10-6-4-7-11-16/h4-13,18H,2-3,14H2,1H3/t18-,20+/m1/s1
InChIKeyRNNNNBDIEPDYHZ-QUCCMNQESA-N
XLogP3.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Oxo-4-phenylbutyl) 3-methylsulfonylbenzoate
CID 8898510
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
CID 11748209
[2-(Benzenesulfonyl)-1,2-diphenylethyl] acetate
CID 13265384
methyl (2S,3R)-2-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-3-phenyl-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 11155506
methyl (2S,3S)-2-[(1R)-2-(4-methylphenyl)sulfanylcyclopent-2-en-1-yl]-3-phenyl-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 11374694
3-[1-(4-Fluorophenyl)-1-hydroxy-1-(4-methanesulfonylphenyl)methyl]dihydrofuran-2-one
CID 15383994
4-(3,4-Difluorophenyl)-5-(4-methylsulfonylphenyl)oxolan-2-one
CID 60085415
[2-(Benzenesulfonyl)-1,4-diphenylbutyl] acetate
CID 10431594
tert-butyl (2S,3R)-3-(benzenesulfonyl)-2-[(S)-hydroxy(phenyl)methyl]butanoate
CID 10524449
(4S,5S)-4-(4-methylphenyl)sulfanyl-5-phenyloxolan-2-one
CID 10779430
[2-(Benzenesulfonyl)-1-phenylprop-2-enyl] acetate
CID 10829195
2-(Benzenesulfonyl)-5-phenyloxolan-3-one
CID 11301102

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate (CID 10523315) is ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate is C=C1CO[C@H](c2ccccc2)[C@@]1(C(=O)OCC)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate?
The InChIKey is RNNNNBDIEPDYHZ-QUCCMNQESA-N. The full InChI is InChI=1S/C20H20O5S/c1-3-24-19(21)20(26(22,23)17-12-8-5-9-13-17)15(2)14-25-18(20)16-10-6-4-7-11-16/h4-13,18H,2-3,14H2,1H3/t18-,20+/m1/s1.
What are the key properties of ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate?
ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate has a molecular weight of 372.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-(benzenesulfonyl)-4-methylidene-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 10523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).