2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide

C17H14N2O2S — CID 957194

IUPAC2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccsc1
InChIInChI=1S/C17H14N2O2S/c20-17(19-18-10-13-8-9-22-12-13)11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-10,12H,11H2,(H,19,20)
InChIKeySUMYXENYKCHTTO-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.43
Rot. Bonds5

About 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide

2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide (PubChem CID 957194) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
PubChem CID957194
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1ccsc1
InChIInChI=1S/C17H14N2O2S/c20-17(19-18-10-13-8-9-22-12-13)11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-10,12H,11H2,(H,19,20)
InChIKeySUMYXENYKCHTTO-UHFFFAOYSA-N
XLogP3.43
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.43
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-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
CID 4980484
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 135444081
N-(cinnamylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3883435
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide (CID 957194) is 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide is O=C(COc1cccc2ccccc12)NN=Cc1ccsc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide?
The InChIKey is SUMYXENYKCHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-17(19-18-10-13-8-9-22-12-13)11-21-16-7-3-5-14-4-1-2-6-15(14)16/h1-10,12H,11H2,(H,19,20).
What are the key properties of 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide?
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide has a molecular weight of 310.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 957194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).