N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide

C24H24N2O2S — CID 6385994

IUPACN-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(COc2ccc(/C=N\NC(=O)CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-3-7-21(8-4-18)16-28-22-11-9-20(10-12-22)15-25-26-24(27)17-29-23-13-5-19(2)6-14-23/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-
InChIKeyOVVUMHMKFAVFSH-MYYYXRDXSA-N
MW404.54 g/mol
LogP5.12
Rot. Bonds8

About N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide

N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 6385994) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID6385994
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC NameN-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(COc2ccc(/C=N\NC(=O)CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O2S/c1-18-3-7-21(8-4-18)16-28-22-11-9-20(10-12-22)15-25-26-24(27)17-29-23-13-5-19(2)6-14-23/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-
InChIKeyOVVUMHMKFAVFSH-MYYYXRDXSA-N
XLogP5.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 39757047
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208851
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
2-[4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]-N-(1-phenylethyl)acetamide
CID 5349368
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029801
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 19183113

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide (CID 6385994) is N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(COc2ccc(/C=N\NC(=O)CSc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is OVVUMHMKFAVFSH-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-18-3-7-21(8-4-18)16-28-22-11-9-20(10-12-22)15-25-26-24(27)17-29-23-13-5-19(2)6-14-23/h3-15H,16-17H2,1-2H3,(H,26,27)/b25-15-.
What are the key properties of N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide?
N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 404.54 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 6385994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).