N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide

C18H14N2O2S — CID 166634874

IUPACN-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C18H14N2O2S/c21-18(20-22)15-5-3-13(4-6-15)1-2-14-7-9-19-17(11-14)16-8-10-23-12-16/h1-12,22H,(H,20,21)/b2-1+
InChIKeyYOAWFEZESIGDKM-OWOJBTEDSA-N
MW322.39 g/mol
LogP4.10
Rot. Bonds4

About N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide

N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide (PubChem CID 166634874) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide
PubChem CID166634874
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide
SMILESO=C(NO)c1ccc(/C=C/c2ccnc(-c3ccsc3)c2)cc1
InChIInChI=1S/C18H14N2O2S/c21-18(20-22)15-5-3-13(4-6-15)1-2-14-7-9-19-17(11-14)16-8-10-23-12-16/h1-12,22H,(H,20,21)/b2-1+
InChIKeyYOAWFEZESIGDKM-OWOJBTEDSA-N
XLogP4.10
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide (CID 166634874) is N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide is O=C(NO)c1ccc(/C=C/c2ccnc(-c3ccsc3)c2)cc1.
What is the InChIKey of N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide?
The InChIKey is YOAWFEZESIGDKM-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H14N2O2S/c21-18(20-22)15-5-3-13(4-6-15)1-2-14-7-9-19-17(11-14)16-8-10-23-12-16/h1-12,22H,(H,20,21)/b2-1+.
What are the key properties of N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide?
N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide has a molecular weight of 322.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(E)-2-(2-thiophen-3-yl-4-pyridinyl)ethenyl]benzamide is sourced from PubChem (CID 166634874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).