2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C15H15IN2O2S — CID 5446377

IUPAC2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cccs1
InChIInChI=1S/C15H15IN2O2S/c1-10-6-12(16)7-11(2)15(10)20-9-14(19)18-17-8-13-4-3-5-21-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8-
InChIKeyCPBLMRGPXFYILG-IUXPMGMMSA-N
MW414.27 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5446377) has the molecular formula C15H15IN2O2S and a molecular weight of 414.27 g/mol. Its IUPAC name is 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5446377
Molecular FormulaC15H15IN2O2S
Molecular Weight414.27 g/mol
Exact Mass413.99
IUPAC Name2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cccs1
InChIInChI=1S/C15H15IN2O2S/c1-10-6-12(16)7-11(2)15(10)20-9-14(19)18-17-8-13-4-3-5-21-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8-
InChIKeyCPBLMRGPXFYILG-IUXPMGMMSA-N
XLogP3.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25249395
N-[(E)-furan-2-ylmethylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 6040206
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(2-fluorophenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 3895307
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-iodo-2,6-dimethylphenoxy)acetamide
CID 136791946
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6058187
2-(2-bromo-4-tert-butylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 4922231
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
2-(2,6-dimethylphenoxy)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 909240
2-(2-phenylphenoxy)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 922521
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
2-(4-nitrophenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5428360

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 5446377) is 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is Cc1cc(I)cc(C)c1OCC(=O)N/N=C\c1cccs1.
What is the InChIKey of 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is CPBLMRGPXFYILG-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H15IN2O2S/c1-10-6-12(16)7-11(2)15(10)20-9-14(19)18-17-8-13-4-3-5-21-13/h3-8H,9H2,1-2H3,(H,18,19)/b17-8-.
What are the key properties of 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 414.27 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2,6-dimethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5446377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).