(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one

C22H19NOS — CID 102253073

IUPAC(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
SMILESC[C@@]1(c2ccccc2)C(=O)N(c2ccccc2)[C@@]1(S)c1ccccc1
InChIInChI=1S/C22H19NOS/c1-21(17-11-5-2-6-12-17)20(24)23(19-15-9-4-10-16-19)22(21,25)18-13-7-3-8-14-18/h2-16,25H,1H3/t21-,22-/m1/s1
InChIKeyKYWVFICNNXJGGH-FGZHOGPDSA-N
MW345.47 g/mol
LogP4.77
Rot. Bonds3

About (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one

(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one (PubChem CID 102253073) has the molecular formula C22H19NOS and a molecular weight of 345.47 g/mol. Its IUPAC name is (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
PubChem CID102253073
Molecular FormulaC22H19NOS
Molecular Weight345.47 g/mol
Exact Mass345.12
IUPAC Name(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
SMILESC[C@@]1(c2ccccc2)C(=O)N(c2ccccc2)[C@@]1(S)c1ccccc1
InChIInChI=1S/C22H19NOS/c1-21(17-11-5-2-6-12-17)20(24)23(19-15-9-4-10-16-19)22(21,25)18-13-7-3-8-14-18/h2-16,25H,1H3/t21-,22-/m1/s1
InChIKeyKYWVFICNNXJGGH-FGZHOGPDSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
CID 10833174
(1S,4R)-3,4-dimethyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
CID 101116599
ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
CID 90723547
3-ethyl-4-methyl-1,4-diphenylazetidin-2-one
CID 135025693
4-hydroxy-5,5-dimethyl-3,4-diphenyl-1,3-oxazolidin-2-one
CID 12654053
1,5,5-triphenyl-2-sulfanylideneimidazolidin-4-one
CID 5379256
1,3-diethyl-3-phenylazetidin-2-one
CID 137321499
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
4,4-dimethyl-1-phenyl-2-trimethylsilylpyrazolidin-3-one
CID 91739526
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
CID 102302966
CID 102302966
7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione
CID 11264716

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one?
The IUPAC name of (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one (CID 102253073) is (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one is C[C@@]1(c2ccccc2)C(=O)N(c2ccccc2)[C@@]1(S)c1ccccc1.
What is the InChIKey of (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one?
The InChIKey is KYWVFICNNXJGGH-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H19NOS/c1-21(17-11-5-2-6-12-17)20(24)23(19-15-9-4-10-16-19)22(21,25)18-13-7-3-8-14-18/h2-16,25H,1H3/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one?
(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one has a molecular weight of 345.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one is sourced from PubChem (CID 102253073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).