N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline

C20H18N2S — CID 6050776

IUPACN-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
SMILESCSc1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2S/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3/b21-16-
InChIKeyRNJVLDZMORJPSY-PGMHBOJBSA-N
MW318.45 g/mol
LogP5.58
Rot. Bonds5

About N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline

N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline (PubChem CID 6050776) has the molecular formula C20H18N2S and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
PubChem CID6050776
Molecular FormulaC20H18N2S
Molecular Weight318.45 g/mol
Exact Mass318.12
IUPAC NameN-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
SMILESCSc1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2S/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3/b21-16-
InChIKeyRNJVLDZMORJPSY-PGMHBOJBSA-N
XLogP5.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-[(diphenylhydrazinylidene)methyl]-N-ethenyl-N-ethylaniline
CID 59096400
methyl 4-[(diphenylhydrazinylidene)methyl]benzoate
CID 5187336
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065635
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
CID 172940453
N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
CID 2453624
N-[(Z)-(2-fluorophenyl)methylideneamino]-N-phenylaniline
CID 7921961
4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
CID 56698447
N-[(5-methylfuran-2-yl)methylideneamino]-N-phenylaniline
CID 4652420
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline (CID 6050776) is N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline is CSc1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline?
The InChIKey is RNJVLDZMORJPSY-PGMHBOJBSA-N. The full InChI is InChI=1S/C20H18N2S/c1-23-20-14-12-17(13-15-20)16-21-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16H,1H3/b21-16-.
What are the key properties of N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline?
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline has a molecular weight of 318.45 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 6050776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).