N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide

C16H17FN2O2S — CID 9240333

IUPACN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1cc(C)sc1C
InChIInChI=1S/C16H17FN2O2S/c1-10-7-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-5-13(17)8-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyWQSPAOLGGXFTDX-WQRHYEAKSA-N
MW320.39 g/mol
LogP3.42
Rot. Bonds5

About N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide

N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (PubChem CID 9240333) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
PubChem CID9240333
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1cc(C)sc1C
InChIInChI=1S/C16H17FN2O2S/c1-10-7-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-5-13(17)8-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-
InChIKeyWQSPAOLGGXFTDX-WQRHYEAKSA-N
XLogP3.42
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.42
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)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135557679
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 9315700
N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 135828355
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
CID 102030717
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
2-(3,5-dimethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]acetamide
CID 135674748
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 7985057
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (CID 9240333) is N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is C/C(=N/NC(=O)COc1cccc(F)c1)c1cc(C)sc1C.
What is the InChIKey of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The InChIKey is WQSPAOLGGXFTDX-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10-7-15(12(3)22-10)11(2)18-19-16(20)9-21-14-6-4-5-13(17)8-14/h4-8H,9H2,1-3H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9240333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).