N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

C14H12N2O2S — CID 922960

IUPACN'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-13(9-8-12-7-4-10-19-12)15-16-14(18)11-5-2-1-3-6-11/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeyARVLVFLKDXZIHO-CMDGGOBGSA-N
MW272.33 g/mol
LogP2.22
Rot. Bonds3

About N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (PubChem CID 922960) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
PubChem CID922960
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cccs1)NNC(=O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-13(9-8-12-7-4-10-19-12)15-16-14(18)11-5-2-1-3-6-11/h1-10H,(H,15,17)(H,16,18)/b9-8+
InChIKeyARVLVFLKDXZIHO-CMDGGOBGSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (CID 922960) is N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is O=C(/C=C/c1cccs1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The InChIKey is ARVLVFLKDXZIHO-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-13(9-8-12-7-4-10-19-12)15-16-14(18)11-5-2-1-3-6-11/h1-10H,(H,15,17)(H,16,18)/b9-8+.
What are the key properties of N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide has a molecular weight of 272.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 922960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).