N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide

C14H14N2O3S — CID 135685177

IUPACN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9(11-6-5-10(19-2)8-12(11)17)15-16-14(18)13-4-3-7-20-13/h3-8,17H,1-2H3,(H,16,18)/b15-9+
InChIKeyGIPCYOKLGCIKBX-OQLLNIDSSA-N
MW290.34 g/mol
LogP2.62
Rot. Bonds4

About N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide

N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 135685177) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID135685177
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2cccs2)c(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9(11-6-5-10(19-2)8-12(11)17)15-16-14(18)13-4-3-7-20-13/h3-8,17H,1-2H3,(H,16,18)/b15-9+
InChIKeyGIPCYOKLGCIKBX-OQLLNIDSSA-N
XLogP2.62
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.62
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-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 135680368

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide (CID 135685177) is N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide is COc1ccc(/C(C)=N/NC(=O)c2cccs2)c(O)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is GIPCYOKLGCIKBX-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9(11-6-5-10(19-2)8-12(11)17)15-16-14(18)13-4-3-7-20-13/h3-8,17H,1-2H3,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide?
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.62, 4 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-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135685177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).