(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one

C24H21NO3S — CID 102167394

IUPAC(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@H](/C=C\c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-18-12-15-21(16-13-18)29(27,28)25-23(20-10-6-3-7-11-20)22(24(25)26)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14-/t22-,23-/m1/s1
InChIKeyZQQOZSQJODHABZ-SRKMIZIKSA-N
MW403.50 g/mol
LogP4.60
Rot. Bonds5

About (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one

(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one (PubChem CID 102167394) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
PubChem CID102167394
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@H](/C=C\c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO3S/c1-18-12-15-21(16-13-18)29(27,28)25-23(20-10-6-3-7-11-20)22(24(25)26)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14-/t22-,23-/m1/s1
InChIKeyZQQOZSQJODHABZ-SRKMIZIKSA-N
XLogP4.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2R,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,5-dihydropyrrole
CID 134926258
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazinane
CID 16731482
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]aziridine
CID 177413150
2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine
CID 137346304
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
(3R,4S)-1-(benzenesulfonyl)-3-methoxy-4-phenylazetidin-2-one
CID 16757039
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one (CID 102167394) is (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)[C@H](/C=C\c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one?
The InChIKey is ZQQOZSQJODHABZ-SRKMIZIKSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-18-12-15-21(16-13-18)29(27,28)25-23(20-10-6-3-7-11-20)22(24(25)26)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14-/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one?
(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one has a molecular weight of 403.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 102167394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).