5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione

C24H21NO4S2 — CID 134716508

IUPAC5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)N1CC(/C=C/c2ccccc2)OC1=S
InChIInChI=1S/C24H21NO4S2/c26-31(27,23-15-13-21(14-16-23)28-18-20-9-5-2-6-10-20)25-17-22(29-24(25)30)12-11-19-7-3-1-4-8-19/h1-16,22H,17-18H2/b12-11+
InChIKeyGEAWECDIXZQEPH-VAWYXSNFSA-N
MW451.57 g/mol
LogP4.65
Rot. Bonds7

About 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione

5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione (PubChem CID 134716508) has the molecular formula C24H21NO4S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
PubChem CID134716508
Molecular FormulaC24H21NO4S2
Molecular Weight451.57 g/mol
Exact Mass451.09
IUPAC Name5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
SMILESO=S(=O)(c1ccc(OCc2ccccc2)cc1)N1CC(/C=C/c2ccccc2)OC1=S
InChIInChI=1S/C24H21NO4S2/c26-31(27,23-15-13-21(14-16-23)28-18-20-9-5-2-6-10-20)25-17-22(29-24(25)30)12-11-19-7-3-1-4-8-19/h1-16,22H,17-18H2/b12-11+
InChIKeyGEAWECDIXZQEPH-VAWYXSNFSA-N
XLogP4.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
CID 134716420
4-methoxy-2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-2,3-dihydropyran-6-one
CID 178114081
1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
CID 10054281
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
phenoxymethylbenzene;sulfuric acid
CID 68982967
(2R)-5-aminooxy-1-(4-phenylmethoxyphenyl)sulfonylpiperidine-2-carboxylic acid
CID 70216579
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione?
The IUPAC name of 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione (CID 134716508) is 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione is O=S(=O)(c1ccc(OCc2ccccc2)cc1)N1CC(/C=C/c2ccccc2)OC1=S.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione?
The InChIKey is GEAWECDIXZQEPH-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H21NO4S2/c26-31(27,23-15-13-21(14-16-23)28-18-20-9-5-2-6-10-20)25-17-22(29-24(25)30)12-11-19-7-3-1-4-8-19/h1-16,22H,17-18H2/b12-11+.
What are the key properties of 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione?
5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione has a molecular weight of 451.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-3-(4-phenylmethoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione is sourced from PubChem (CID 134716508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).