N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

C15H16N2O3S — CID 135680368

IUPACN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16N2O3S/c1-10(13-8-11(20-2)5-6-14(13)18)16-17-15(19)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19)/b16-10+
InChIKeyIRPJWIVZGVDDST-MHWRWJLKSA-N
MW304.37 g/mol
LogP2.55
Rot. Bonds5

About N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 135680368) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
PubChem CID135680368
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16N2O3S/c1-10(13-8-11(20-2)5-6-14(13)18)16-17-15(19)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19)/b16-10+
InChIKeyIRPJWIVZGVDDST-MHWRWJLKSA-N
XLogP2.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135582457
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425405
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702556
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[(4-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929721
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide (CID 135680368) is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is COc1ccc(O)c(/C(C)=N/NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is IRPJWIVZGVDDST-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(13-8-11(20-2)5-6-14(13)18)16-17-15(19)9-12-4-3-7-21-12/h3-8,18H,9H2,1-2H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 135680368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).