2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide

C14H14N2O2S — CID 4980484

IUPAC2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-2-4-13(5-3-11)18-9-14(17)16-15-8-12-6-7-19-10-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyVLQGDKGAWRRPAO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide

2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide (PubChem CID 4980484) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
PubChem CID4980484
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2ccsc2)cc1
InChIInChI=1S/C14H14N2O2S/c1-11-2-4-13(5-3-11)18-9-14(17)16-15-8-12-6-7-19-10-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyVLQGDKGAWRRPAO-UHFFFAOYSA-N
XLogP2.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.59
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-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(2,5-dimethylphenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 5412056
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6149713
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
N-(thiophen-3-ylmethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 3457585

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide (CID 4980484) is 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide is Cc1ccc(OCC(=O)NN=Cc2ccsc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide?
The InChIKey is VLQGDKGAWRRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-11-2-4-13(5-3-11)18-9-14(17)16-15-8-12-6-7-19-10-12/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide?
2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(thiophen-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 4980484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).