N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

C18H16N2O2S — CID 6005253

IUPACN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H16N2O2S/c1-13-6-9-17(23-13)11-19-20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyJTVYANQBDTUEGH-ODLFYWEKSA-N
MW324.41 g/mol
LogP3.74
Rot. Bonds5

About N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide

N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (PubChem CID 6005253) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
PubChem CID6005253
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)s1
InChIInChI=1S/C18H16N2O2S/c1-13-6-9-17(23-13)11-19-20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-
InChIKeyJTVYANQBDTUEGH-ODLFYWEKSA-N
XLogP3.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.74
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

N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420729
N-[(Z)-(2-methylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5428266
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
2-(2,6-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 909240
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide
CID 171130841
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 6123716
propyl 4-[2-[2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927244
N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 171979594
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
2-naphthalen-2-yloxy-N-(pyridin-2-ylmethylideneamino)acetamide
CID 826768
N-[(4-bromophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 3610097

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide (CID 6005253) is N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is Cc1ccc(/C=N\NC(=O)COc2ccc3ccccc3c2)s1.
What is the InChIKey of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
The InChIKey is JTVYANQBDTUEGH-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-13-6-9-17(23-13)11-19-20-18(21)12-22-16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide?
N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide has a molecular weight of 324.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 6005253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).