N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide

C16H12N2O2S — CID 6874810

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1csc2ccccc12
InChIInChI=1S/C16H12N2O2S/c19-12-5-3-4-11(8-12)9-17-18-16(20)14-10-21-15-7-2-1-6-13(14)15/h1-10,19H,(H,18,20)/b17-9+
InChIKeyTVTKCKQIKRKXHQ-RQZCQDPDSA-N
MW296.35 g/mol
LogP3.37
Rot. Bonds3

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide (PubChem CID 6874810) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide
PubChem CID6874810
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1csc2ccccc12
InChIInChI=1S/C16H12N2O2S/c19-12-5-3-4-11(8-12)9-17-18-16(20)14-10-21-15-7-2-1-6-13(14)15/h1-10,19H,(H,18,20)/b17-9+
InChIKeyTVTKCKQIKRKXHQ-RQZCQDPDSA-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': '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-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide (CID 6874810) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1csc2ccccc12.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide?
The InChIKey is TVTKCKQIKRKXHQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-12-5-3-4-11(8-12)9-17-18-16(20)14-10-21-15-7-2-1-6-13(14)15/h1-10,19H,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide 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-hydroxyphenyl)methylideneamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6874810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).