2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane

C19H23NO2S — CID 25038835

IUPAC2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane
SMILESCOCCN=[S@](=O)(C/C(C)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-17(15-18-9-5-3-6-10-18)16-23(21,20-13-14-22-2)19-11-7-4-8-12-19/h3-12,15H,13-14,16H2,1-2H3/b17-15-/t23-/m0/s1
InChIKeyQGUPJPRDARULNS-ZBORUMQWSA-N
MW329.47 g/mol
LogP4.26
Rot. Bonds7

About 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane

2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane (PubChem CID 25038835) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane
PubChem CID25038835
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane
SMILESCOCCN=[S@](=O)(C/C(C)=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-17(15-18-9-5-3-6-10-18)16-23(21,20-13-14-22-2)19-11-7-4-8-12-19/h3-12,15H,13-14,16H2,1-2H3/b17-15-/t23-/m0/s1
InChIKeyQGUPJPRDARULNS-ZBORUMQWSA-N
XLogP4.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethylimino-methyl-oxo-phenyl-lambda6-sulfane
CID 10560548
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
2-benzylidene-4-methoxybutanoic acid
CID 150039493
[(E)-5-chloro-6-methoxy-2-methylhex-2-enyl]sulfonylbenzene
CID 13198641
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
2-methoxyethyl 2-methoxy-3-phenylprop-2-enoate
CID 150649669
methyl (2Z)-2-benzylidene-4-methoxybutanoate
CID 122641210
methyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 101174198
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane?
The IUPAC name of 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane (CID 25038835) is 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane?
The canonical SMILES for 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane is COCCN=[S@](=O)(C/C(C)=C\c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane?
The InChIKey is QGUPJPRDARULNS-ZBORUMQWSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-17(15-18-9-5-3-6-10-18)16-23(21,20-13-14-22-2)19-11-7-4-8-12-19/h3-12,15H,13-14,16H2,1-2H3/b17-15-/t23-/m0/s1.
What are the key properties of 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane?
2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane has a molecular weight of 329.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylimino-[(Z)-2-methyl-3-phenylprop-2-enyl]-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 25038835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).