2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C25H24N2O2S — CID 7948461

IUPAC2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-24(27-16-9-17-30-25(27)26-22-13-5-2-6-14-22)19-29-23-15-8-7-12-21(23)18-20-10-3-1-4-11-20/h1-8,10-15H,9,16-19H2/b26-25-
InChIKeyRPMMJSIRYANFID-QPLCGJKRSA-N
MW416.55 g/mol
LogP5.31
Rot. Bonds6

About 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 7948461) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID7948461
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCS/C1=N\c1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-24(27-16-9-17-30-25(27)26-22-13-5-2-6-14-22)19-29-23-15-8-7-12-21(23)18-20-10-3-1-4-11-20/h1-8,10-15H,9,16-19H2/b26-25-
InChIKeyRPMMJSIRYANFID-QPLCGJKRSA-N
XLogP5.31
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-acetylphenyl)imino-1,3-thiazinan-3-yl]-2-naphthalen-1-yloxyethanone
CID 8895629
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 8746575
2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947850
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
2-(4-benzoylphenoxy)-1-[2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinan-3-yl]ethanone
CID 5137010
2-(2-ethoxyphenoxy)-1-[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947760
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 7948461) is 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is O=C(COc1ccccc1Cc1ccccc1)N1CCCS/C1=N\c1ccccc1.
What is the InChIKey of 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is RPMMJSIRYANFID-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-24(27-16-9-17-30-25(27)26-22-13-5-2-6-14-22)19-29-23-15-8-7-12-21(23)18-20-10-3-1-4-11-20/h1-8,10-15H,9,16-19H2/b26-25-.
What are the key properties of 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 416.55 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 7948461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).