N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide

C16H16N2OS — CID 126249111

IUPACN-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-3-7-15(8-4-12)20-16-9-5-14(6-10-16)11-17-18-13(2)19/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyWUTRAIAZVYVVIU-BOPFTXTBSA-N
MW284.38 g/mol
LogP3.62
Rot. Bonds4

About N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide

N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide (PubChem CID 126249111) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
PubChem CID126249111
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2OS/c1-12-3-7-15(8-4-12)20-16-9-5-14(6-10-16)11-17-18-13(2)19/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKeyWUTRAIAZVYVVIU-BOPFTXTBSA-N
XLogP3.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

[4-[(acetylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5115377
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
(2S)-N-[(Z)-(4-methylphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126122182
N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
CID 1279253
N-[(E)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]-3-pyrrol-1-ylbenzamide
CID 126255017
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
2-ethyl-N,N'-bis[(E)-(4-methylphenyl)methylideneamino]propanediamide
CID 45356627
4-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208851
5-bromo-7-iodo-N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126249401
[4-[(Z)-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]hydrazinylidene]methyl]phenyl] acetate
CID 126124421
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126135356

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide (CID 126249111) is N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide?
The InChIKey is WUTRAIAZVYVVIU-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-3-7-15(8-4-12)20-16-9-5-14(6-10-16)11-17-18-13(2)19/h3-11H,1-2H3,(H,18,19)/b17-11-.
What are the key properties of N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide?
N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide has a molecular weight of 284.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(4-methylphenyl)sulfanylphenyl]methylideneamino]acetamide is sourced from PubChem (CID 126249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).