ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate

C24H23NO4S — CID 10598279

IUPACethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-2-29-24(26)23-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)25(23)30(27,28)20-16-10-5-11-17-20/h3-17,21-23H,2H2,1H3/t21-,22+,23-/m1/s1
InChIKeyVGBRJIDDSCYFEV-XPWALMASSA-N
MW421.52 g/mol
LogP4.15
Rot. Bonds6

About ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate

ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate (PubChem CID 10598279) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate
PubChem CID10598279
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Nameethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23NO4S/c1-2-29-24(26)23-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)25(23)30(27,28)20-16-10-5-11-17-20/h3-17,21-23H,2H2,1H3/t21-,22+,23-/m1/s1
InChIKeyVGBRJIDDSCYFEV-XPWALMASSA-N
XLogP4.15
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-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

1-Benzenesulfonyl-piperidine-2-carboxylic acid 4-phenyl-butyl ester
CID 9865798
1-(Toluene-4-sulfonyl)-piperidine-2-carboxylic acid 4-phenyl-butyl ester
CID 9909789
Isoquinoline-3-carboxylic acid, 2-(4-fluorobenzenesulfonyl)-1,2,3,4-tetrahydro-, methyl ester
CID 3154198
methyl (2R)-2-[[3-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]-methylsulfamoyl]phenyl]sulfonyl-methylamino]-2-phenylacetate
CID 24761718
Methyl 2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate
CID 2946735
Ethyl 2-tosyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 50925116
Ethyl 5-tert-butyl-4-methyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine-3-carboxylate
CID 53382875
Ethyl 1-[(4-methylphenyl)sulfonyl]-3-phenyl-2-aziridinecarboxylate
CID 15710276
methyl (2R,6S)-6-(3-fluorophenyl)-1-(3-fluorophenyl)sulfonylpiperidine-2-carboxylate
CID 135077713
ethyl (2R,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carboxylate
CID 10914941
ethyl 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 5105711
Ethyl 4-[[benzyl-(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 15995458

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate?
The IUPAC name of ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate (CID 10598279) is ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate is CCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate?
The InChIKey is VGBRJIDDSCYFEV-XPWALMASSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-2-29-24(26)23-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)25(23)30(27,28)20-16-10-5-11-17-20/h3-17,21-23H,2H2,1H3/t21-,22+,23-/m1/s1.
What are the key properties of ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate?
ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R)-1-(benzenesulfonyl)-3,4-diphenylazetidine-2-carboxylate is sourced from PubChem (CID 10598279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).