N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

C16H18N2O2S — CID 827694

IUPACN-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nc1ccc(C)cc1C)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-14(12(2)9-11)17-16(19)10-20-18-13(3)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyRJQJUIVHZLZHMC-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.74
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide

N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 827694) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID827694
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)Nc1ccc(C)cc1C)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-11-6-7-14(12(2)9-11)17-16(19)10-20-18-13(3)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyRJQJUIVHZLZHMC-UHFFFAOYSA-N
XLogP3.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.74
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-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate
CID 5036389
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7665698
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 126800859
[2-(2,4-dimethylanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 23741088

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 827694) is N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)Nc1ccc(C)cc1C)c1cccs1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is RJQJUIVHZLZHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-6-7-14(12(2)9-11)17-16(19)10-20-18-13(3)15-5-4-8-21-15/h4-9H,10H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide has a molecular weight of 302.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 827694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).