N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide

C18H15FN2O3S — CID 171130841

IUPACN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2cc(OCC(=O)NN=Cc3ccc(F)s3)ccc2c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-4-2-13-9-15(5-3-12(13)8-14)24-11-18(22)21-20-10-16-6-7-17(19)25-16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyFFCFUTPRXDRLSG-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.58
Rot. Bonds6

About N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide

N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide (PubChem CID 171130841) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide
PubChem CID171130841
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide
SMILESCOc1ccc2cc(OCC(=O)NN=Cc3ccc(F)s3)ccc2c1
InChIInChI=1S/C18H15FN2O3S/c1-23-14-4-2-13-9-15(5-3-12(13)8-14)24-11-18(22)21-20-10-16-6-7-17(19)25-16/h2-10H,11H2,1H3,(H,21,22)
InChIKeyFFCFUTPRXDRLSG-UHFFFAOYSA-N
XLogP3.58
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-naphthalen-2-yloxyacetamide
CID 6005253
N-[(5-fluorothiophen-2-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171130813
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 42995419
2-(4-methoxyphenoxy)-N-(2-methylpropylideneamino)acetamide
CID 4632362
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
N-[(5-bromothiophen-2-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1035045
2-(3,4-dimethylphenoxy)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 6868155
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide (CID 171130841) is N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide is COc1ccc2cc(OCC(=O)NN=Cc3ccc(F)s3)ccc2c1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide?
The InChIKey is FFCFUTPRXDRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-14-4-2-13-9-15(5-3-12(13)8-14)24-11-18(22)21-20-10-16-6-7-17(19)25-16/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide?
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide has a molecular weight of 358.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 171130841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).