2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C15H16N2O2S — CID 5416726

IUPAC2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-12-5-7-13(8-6-12)19-11-15(18)17-16-10-14-4-3-9-20-14/h3-10H,2,11H2,1H3,(H,17,18)/b16-10-
InChIKeyAZOIPBMVHRFZAQ-YBEGLDIGSA-N
MW288.37 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5416726) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5416726
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2cccs2)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-12-5-7-13(8-6-12)19-11-15(18)17-16-10-14-4-3-9-20-14/h3-10H,2,11H2,1H3,(H,17,18)/b16-10-
InChIKeyAZOIPBMVHRFZAQ-YBEGLDIGSA-N
XLogP2.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.84
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

[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6272283
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6058187
2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
2-(4-ethylphenoxy)-N-[(Z)-(4-nitrothiophen-2-yl)methylideneamino]acetamide
CID 6267681
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
2-(4-ethylphenoxy)-N-(2-phenylethylideneamino)acetamide
CID 4922542
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5446377

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 5416726) is 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is CCc1ccc(OCC(=O)N/N=C\c2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is AZOIPBMVHRFZAQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-12-5-7-13(8-6-12)19-11-15(18)17-16-10-14-4-3-9-20-14/h3-10H,2,11H2,1H3,(H,17,18)/b16-10-.
What are the key properties of 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 288.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5416726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).