2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide

C15H12N2O4S — CID 6532698

IUPAC2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide
SMILESNNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O
InChIInChI=1S/C15H12N2O4S/c16-17-14(18)8-20-9-3-4-11-12(6-9)21-13(15(11)19)7-10-2-1-5-22-10/h1-7H,8,16H2,(H,17,18)/b13-7-
InChIKeyUEGOYEOTLQYTKM-QPEQYQDCSA-N
MW316.34 g/mol
LogP1.73
Rot. Bonds4

About 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide

2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide (PubChem CID 6532698) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide.

Molecular Properties

Compound Name2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide
PubChem CID6532698
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide
SMILESNNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O
InChIInChI=1S/C15H12N2O4S/c16-17-14(18)8-20-9-3-4-11-12(6-9)21-13(15(11)19)7-10-2-1-5-22-10/h1-7H,8,16H2,(H,17,18)/b13-7-
InChIKeyUEGOYEOTLQYTKM-QPEQYQDCSA-N
XLogP1.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide?
The IUPAC name of 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide (CID 6532698) is 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide.
What is the SMILES notation for 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide?
The canonical SMILES for 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide is NNC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O.
What is the InChIKey of 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide?
The InChIKey is UEGOYEOTLQYTKM-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H12N2O4S/c16-17-14(18)8-20-9-3-4-11-12(6-9)21-13(15(11)19)7-10-2-1-5-22-10/h1-7H,8,16H2,(H,17,18)/b13-7-.
What are the key properties of 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide?
2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide has a molecular weight of 316.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetohydrazide is sourced from PubChem (CID 6532698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).