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

C13H12N2O3S — CID 135641355

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=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)/b14-8+
InChIKeySSBKRCFODRDMFY-RIYZIHGNSA-N
MW276.32 g/mol
LogP2.23
Rot. Bonds4

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

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 135641355) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID135641355
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(/C=N/NC(=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)/b14-8+
InChIKeySSBKRCFODRDMFY-RIYZIHGNSA-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

LASSBio-294
CID 9579598
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861722
N'-(3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-[(E)-(5-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883074
N'-[(E)-(3-methylthiophen-2-yl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 6883293
4-[(E)-(2-carbamoylhydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate
CID 6901641
N-[(E)-thiophen-3-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6908726
N'-(1,3-benzodioxol-5-ylmethylene)-3-methyl-2-thiophenecarbohydrazide
CID 6873436
N'-(4-hydroxy-3,5-dimethoxybenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 135401355
3,4,5-trimethoxy-N'-[(2-methyl-3-thienyl)methylene]benzohydrazide
CID 5342152
N'-[(3-methyl-2-thienyl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 5416305

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 135641355) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is COc1cc(/C=N/NC(=O)c2cccs2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is SSBKRCFODRDMFY-RIYZIHGNSA-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)/b14-8+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(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-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135641355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).