ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate

C20H20O5S — CID 134920801

IUPACethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H20O5S/c1-3-24-19(21)17-14(2)25-20(18(17)15-10-6-4-7-11-15)26(22,23)16-12-8-5-9-13-16/h4-13,18,20H,3H2,1-2H3/t18-,20+/m0/s1
InChIKeyPBNFZBNDTJQTDR-AZUAARDMSA-N
MW372.44 g/mol
LogP3.44
Rot. Bonds5

About ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate

ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 134920801) has the molecular formula C20H20O5S and a molecular weight of 372.44 g/mol. Its IUPAC name is ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate
PubChem CID134920801
Molecular FormulaC20H20O5S
Molecular Weight372.44 g/mol
Exact Mass372.10
IUPAC Nameethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C20H20O5S/c1-3-24-19(21)17-14(2)25-20(18(17)15-10-6-4-7-11-15)26(22,23)16-12-8-5-9-13-16/h4-13,18,20H,3H2,1-2H3/t18-,20+/m0/s1
InChIKeyPBNFZBNDTJQTDR-AZUAARDMSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-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

Rofecoxib
CID 5090
5,5-dimethyl-3-(3-fluorophenyl)-4-(4-methylsulfonyl)phenyl-2(5H)-furanone
CID 9906892
MF-tricyclic
CID 127923
4-(4-(Methylsulfonyl)phenyl)-3-(P-tolyl)furan-2(5H)-one
CID 6426686
3-(3-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one
CID 9923656
3-Benzyl-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 10108931
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenylsulfanyl-5H-furan-2-one
CID 10199429
2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-
CID 10830394
3-(4-Fluoro-phenyl)-5-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 21472742
5-Ethoxy-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 21472750
5-Hydroxy-3-(4-isopropyl-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 44272272
3-(4-(111C)methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CID 59738823

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate (CID 134920801) is ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)O[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is PBNFZBNDTJQTDR-AZUAARDMSA-N. The full InChI is InChI=1S/C20H20O5S/c1-3-24-19(21)17-14(2)25-20(18(17)15-10-6-4-7-11-15)26(22,23)16-12-8-5-9-13-16/h4-13,18,20H,3H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate?
ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 372.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-(benzenesulfonyl)-5-methyl-3-phenyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 134920801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).