N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine

C23H21NOS — CID 71531727

IUPACN-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine
SMILESCOC(SC)c1ccccc1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-25-23(26-2)20-15-9-10-16-22(20)24-17-21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,1-2H3
InChIKeyPMNJTOZSMFEDAM-UHFFFAOYSA-N
MW359.49 g/mol
LogP6.13
Rot. Bonds6

About N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine

N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine (PubChem CID 71531727) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine
PubChem CID71531727
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC NameN-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine
SMILESCOC(SC)c1ccccc1N=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NOS/c1-25-23(26-2)20-15-9-10-16-22(20)24-17-21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,1-2H3
InChIKeyPMNJTOZSMFEDAM-UHFFFAOYSA-N
XLogP6.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine 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

N-[(S)-[2-(2,2-diphenylethenylideneamino)phenyl]-phenylmethyl]-2-methylpropan-1-imine
CID 102370349
1-azido-2-[methoxy(methylsulfanyl)methyl]benzene
CID 71530957
2-[methoxy(methylsulfanyl)methyl]benzoic acid
CID 66599925
S-(4-methylphenyl) 2-(2,2-diphenylethenylideneamino)benzenecarbothioate
CID 101374813
2,2-diphenyl-N-[2-(2-trimethylsilylethynyl)phenyl]ethenimine
CID 10832689
N-benzhydrylidene-2-(2,2-diphenylethenylideneamino)benzamide
CID 11306080
N'-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 55160347
N-ethynyl-2,2-diphenylethenimine
CID 140945321
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
CID 23670629
[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
CID 118642802
S-(4-methylphenyl) 2-(2-phenylprop-1-enylideneamino)benzenecarbothioate
CID 101374814

Frequently Asked Questions

What is the IUPAC name of N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine?
The IUPAC name of N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine (CID 71531727) is N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine.
What is the SMILES notation for N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine?
The canonical SMILES for N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine is COC(SC)c1ccccc1N=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine?
The InChIKey is PMNJTOZSMFEDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c1-25-23(26-2)20-15-9-10-16-22(20)24-17-21(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,1-2H3.
What are the key properties of N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine?
N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine has a molecular weight of 359.49 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methoxy(methylsulfanyl)methyl]phenyl]-2,2-diphenylethenimine is sourced from PubChem (CID 71531727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).