(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C27H27NO5S — CID 101495389

IUPAC(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCOc1ccc(/C=C/[C@@H]2[C@@H](c3ccc(OC)cc3)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H27NO5S/c1-19-4-15-24(16-5-19)34(30,31)28-26(17-8-20-6-11-22(32-2)12-7-20)25(18-27(28)29)21-9-13-23(33-3)14-10-21/h4-17,25-26H,18H2,1-3H3/b17-8+/t25-,26-/m1/s1
InChIKeyWWQDEWOGJUATSX-RINAMLGCSA-N
MW477.58 g/mol
LogP4.80
Rot. Bonds7

About (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 101495389) has the molecular formula C27H27NO5S and a molecular weight of 477.58 g/mol. Its IUPAC name is (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID101495389
Molecular FormulaC27H27NO5S
Molecular Weight477.58 g/mol
Exact Mass477.16
IUPAC Name(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCOc1ccc(/C=C/[C@@H]2[C@@H](c3ccc(OC)cc3)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H27NO5S/c1-19-4-15-24(16-5-19)34(30,31)28-26(17-8-20-6-11-22(32-2)12-7-20)25(18-27(28)29)21-9-13-23(33-3)14-10-21/h4-17,25-26H,18H2,1-3H3/b17-8+/t25-,26-/m1/s1
InChIKeyWWQDEWOGJUATSX-RINAMLGCSA-N
XLogP4.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
CID 102255866
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CID 102182418
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
(2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 162407870
(4R)-1-(4-methylphenyl)sulfonyl-4-[(Z)-prop-1-enyl]azetidin-2-one
CID 154708498
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
CID 102357332
(3R)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 1022183
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-sulfanyl-2,3-dihydroquinolin-4-one
CID 175074316
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
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(2R)-4-bromo-3-iodo-2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 101495389) is (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is COc1ccc(/C=C/[C@@H]2[C@@H](c3ccc(OC)cc3)CC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is WWQDEWOGJUATSX-RINAMLGCSA-N. The full InChI is InChI=1S/C27H27NO5S/c1-19-4-15-24(16-5-19)34(30,31)28-26(17-8-20-6-11-22(32-2)12-7-20)25(18-27(28)29)21-9-13-23(33-3)14-10-21/h4-17,25-26H,18H2,1-3H3/b17-8+/t25-,26-/m1/s1.
What are the key properties of (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 477.58 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 101495389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).