N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide

C13H12N2O3S — CID 768844

IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccs2)ccc1O
InChIInChI=1S/C13H12N2O3S/c1-18-11-7-9(4-5-10(11)16)8-14-15-13(17)12-3-2-6-19-12/h2-8,16H,1H3,(H,15,17)
InChIKeySSBKRCFODRDMFY-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.23
Rot. Bonds4

About N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 768844) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID768844
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccs2)ccc1O
InChIInChI=1S/C13H12N2O3S/c1-18-11-7-9(4-5-10(11)16)8-14-15-13(17)12-3-2-6-19-12/h2-8,16H,1H3,(H,15,17)
InChIKeySSBKRCFODRDMFY-UHFFFAOYSA-N
XLogP2.23
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881784
[2-methoxy-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] pyridine-4-carboxylate
CID 9211835
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135619471
[2-methoxy-4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
CID 171985527
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3128061

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 768844) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is COc1cc(C=NNC(=O)c2cccs2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is SSBKRCFODRDMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-11-7-9(4-5-10(11)16)8-14-15-13(17)12-3-2-6-19-12/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).