2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

C15H14N2O4S — CID 18109131

IUPAC2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H14N2O4S/c18-11-5-2-1-4-10(11)15(21)17-16-14(20)8-7-12(19)13-6-3-9-22-13/h1-6,9,18H,7-8H2,(H,16,20)(H,17,21)
InChIKeyXLDKQHNHAVGVGQ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.88
Rot. Bonds5

About 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (PubChem CID 18109131) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
PubChem CID18109131
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1O
InChIInChI=1S/C15H14N2O4S/c18-11-5-2-1-4-10(11)15(21)17-16-14(20)8-7-12(19)13-6-3-9-22-13/h1-6,9,18H,7-8H2,(H,16,20)(H,17,21)
InChIKeyXLDKQHNHAVGVGQ-UHFFFAOYSA-N
XLogP1.88
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The IUPAC name of 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (CID 18109131) is 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is O=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The InChIKey is XLDKQHNHAVGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-11-5-2-1-4-10(11)15(21)17-16-14(20)8-7-12(19)13-6-3-9-22-13/h1-6,9,18H,7-8H2,(H,16,20)(H,17,21).
What are the key properties of 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide has a molecular weight of 318.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is sourced from PubChem (CID 18109131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).