(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine

C22H21NO2S — CID 11057576

IUPAC(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
SMILESCOc1ccc(/C=N/C(Sc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-24-19-12-8-17(9-13-19)16-23-22(26-21-6-4-3-5-7-21)18-10-14-20(25-2)15-11-18/h3-16,22H,1-2H3/b23-16+
InChIKeyACBSEDRVPATFPC-XQNSMLJCSA-N
MW363.48 g/mol
LogP5.61
Rot. Bonds7

About (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine

(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine (PubChem CID 11057576) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
PubChem CID11057576
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
SMILESCOc1ccc(/C=N/C(Sc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21NO2S/c1-24-19-12-8-17(9-13-19)16-23-22(26-21-6-4-3-5-7-21)18-10-14-20(25-2)15-11-18/h3-16,22H,1-2H3/b23-16+
InChIKeyACBSEDRVPATFPC-XQNSMLJCSA-N
XLogP5.61
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
(E)-1-(4-methoxyphenyl)-N-phenoxymethanimine
CID 11790929
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971
N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
CID 15326220
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)-2-nitrobutyl]methanimine
CID 74408432
1-bromo-4-[(R)-(4-methoxyphenyl)sulfanyl-phenylmethyl]benzene
CID 134849370
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine (CID 11057576) is (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine is COc1ccc(/C=N/C(Sc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine?
The InChIKey is ACBSEDRVPATFPC-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-24-19-12-8-17(9-13-19)16-23-22(26-21-6-4-3-5-7-21)18-10-14-20(25-2)15-11-18/h3-16,22H,1-2H3/b23-16+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine?
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine has a molecular weight of 363.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine is sourced from PubChem (CID 11057576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).