N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

C15H15ClN2O2S — CID 46697978

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESCc1cc(C)c(NC(=O)CO/N=C/c2cccs2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c1-10-6-11(2)15(13(16)7-10)18-14(19)9-20-17-8-12-4-3-5-21-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+
InChIKeyQMVJDFIXCWXUQG-CAOOACKPSA-N
MW322.82 g/mol
LogP4.01
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (PubChem CID 46697978) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
PubChem CID46697978
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
SMILESCc1cc(C)c(NC(=O)CO/N=C/c2cccs2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c1-10-6-11(2)15(13(16)7-10)18-14(19)9-20-17-8-12-4-3-5-21-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+
InChIKeyQMVJDFIXCWXUQG-CAOOACKPSA-N
XLogP4.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.01
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-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 24606445
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 24607111
N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
CID 46677751
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8964695
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
ethyl 2-[[2-[(E)-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethylidene]amino]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 6904990
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7669003
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596980
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27066501
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide (CID 46697978) is N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is Cc1cc(C)c(NC(=O)CO/N=C/c2cccs2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
The InChIKey is QMVJDFIXCWXUQG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-6-11(2)15(13(16)7-10)18-14(19)9-20-17-8-12-4-3-5-21-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-8+.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide has a molecular weight of 322.82 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide is sourced from PubChem (CID 46697978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).