ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C26H25NO5S — CID 54728733

IUPACethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)C[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H25NO5S/c1-2-32-26(29)24-23(28)18-22(19-12-6-3-7-13-19)27(25(24)20-14-8-4-9-15-20)33(30,31)21-16-10-5-11-17-21/h3-17,22,25,28H,2,18H2,1H3/t22-,25-/m1/s1
InChIKeyHKORBVFNPIHXSS-RCZVLFRGSA-N
MW463.56 g/mol
LogP4.94
Rot. Bonds6

About ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54728733) has the molecular formula C26H25NO5S and a molecular weight of 463.56 g/mol. Its IUPAC name is ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54728733
Molecular FormulaC26H25NO5S
Molecular Weight463.56 g/mol
Exact Mass463.15
IUPAC Nameethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)C[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C26H25NO5S/c1-2-32-26(29)24-23(28)18-22(19-12-6-3-7-13-19)27(25(24)20-14-8-4-9-15-20)33(30,31)21-16-10-5-11-17-21/h3-17,22,25,28H,2,18H2,1H3/t22-,25-/m1/s1
InChIKeyHKORBVFNPIHXSS-RCZVLFRGSA-N
XLogP4.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R,6R)-4-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728740
methyl (2R,6S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-2-phenyl-6-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 139038743
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
ethyl (2R,6S)-4-amino-2,6-diphenyl-1-(phenylcarbamoyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 28593462
ethyl 1-(4-nitrophenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 102032254
ethyl (2S,5S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 6610021
(2R,6R)-1-(benzenesulfonyl)-2-methoxy-6-phenylpiperidin-4-one
CID 132572092
(2S,6S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 6609993
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
ethyl (6S)-4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 93139700
ethyl 1-(benzenesulfonyl)-5-bromopyrrole-3-carboxylate
CID 162420887

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54728733) is ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is HKORBVFNPIHXSS-RCZVLFRGSA-N. The full InChI is InChI=1S/C26H25NO5S/c1-2-32-26(29)24-23(28)18-22(19-12-6-3-7-13-19)27(25(24)20-14-8-4-9-15-20)33(30,31)21-16-10-5-11-17-21/h3-17,22,25,28H,2,18H2,1H3/t22-,25-/m1/s1.
What are the key properties of ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6R)-1-(benzenesulfonyl)-4-hydroxy-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54728733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).