N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide

C16H12N2O2S — CID 135425030

IUPACN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-15-12-8-4-5-9-13(12)21-14(15)10-17-18-16(20)11-6-2-1-3-7-11/h1-10,19H,(H,18,20)/b17-10+
InChIKeyWZAIYIJVMUBWDP-LICLKQGHSA-N
MW296.35 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide

N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide (PubChem CID 135425030) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
PubChem CID135425030
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-15-12-8-4-5-9-13(12)21-14(15)10-17-18-16(20)11-6-2-1-3-7-11/h1-10,19H,(H,18,20)/b17-10+
InChIKeyWZAIYIJVMUBWDP-LICLKQGHSA-N
XLogP3.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide (CID 135425030) is N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1sc2ccccc2c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
The InChIKey is WZAIYIJVMUBWDP-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-15-12-8-4-5-9-13(12)21-14(15)10-17-18-16(20)11-6-2-1-3-7-11/h1-10,19H,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide?
N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide has a molecular weight of 296.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 135425030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).