2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide

C19H17N3O3S — CID 1040366

IUPAC2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H17N3O3S/c1-14-6-2-3-7-16(14)24-13-17(23)22-21-12-15-9-10-19(25-15)26-18-8-4-5-11-20-18/h2-12H,13H2,1H3,(H,22,23)
InChIKeyVHFWBLODEIFAPB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.66
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide

2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide (PubChem CID 1040366) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
PubChem CID1040366
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1OCC(=O)NN=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H17N3O3S/c1-14-6-2-3-7-16(14)24-13-17(23)22-21-12-15-9-10-19(25-15)26-18-8-4-5-11-20-18/h2-12H,13H2,1H3,(H,22,23)
InChIKeyVHFWBLODEIFAPB-UHFFFAOYSA-N
XLogP3.66
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 171980324
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
N-[(E)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-(2-chlorophenoxy)acetamide
CID 126191552
5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 4220503
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide (CID 1040366) is 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide is Cc1ccccc1OCC(=O)NN=Cc1ccc(Sc2ccccn2)o1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is VHFWBLODEIFAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14-6-2-3-7-16(14)24-13-17(23)22-21-12-15-9-10-19(25-15)26-18-8-4-5-11-20-18/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 1040366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).