N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide

C15H14N2O2S — CID 135411362

IUPACN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESC=CCc1cccc(/C=N/NC(=O)c2cccs2)c1O
InChIInChI=1S/C15H14N2O2S/c1-2-5-11-6-3-7-12(14(11)18)10-16-17-15(19)13-8-4-9-20-13/h2-4,6-10,18H,1,5H2,(H,17,19)/b16-10+
InChIKeyCPQLPKASEWSXCN-MHWRWJLKSA-N
MW286.36 g/mol
LogP2.95
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 135411362) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID135411362
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESC=CCc1cccc(/C=N/NC(=O)c2cccs2)c1O
InChIInChI=1S/C15H14N2O2S/c1-2-5-11-6-3-7-12(14(11)18)10-16-17-15(19)13-8-4-9-20-13/h2-4,6-10,18H,1,5H2,(H,17,19)/b16-10+
InChIKeyCPQLPKASEWSXCN-MHWRWJLKSA-N
XLogP2.95
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide (CID 135411362) is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide is C=CCc1cccc(/C=N/NC(=O)c2cccs2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is CPQLPKASEWSXCN-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-5-11-6-3-7-12(14(11)18)10-16-17-15(19)13-8-4-9-20-13/h2-4,6-10,18H,1,5H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135411362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).