N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide

C26H22N2O3S — CID 3734254

IUPACN'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide
SMILESCc1cccc(N(NC(=O)C(O)(c2ccccc2)c2cccs2)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H22N2O3S/c1-19-10-8-15-22(18-19)28(24(29)20-11-4-2-5-12-20)27-25(30)26(31,23-16-9-17-32-23)21-13-6-3-7-14-21/h2-18,31H,1H3,(H,27,30)
InChIKeyQCMJMOWFCODCMC-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.67
Rot. Bonds5

About N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide

N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide (PubChem CID 3734254) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide
PubChem CID3734254
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide
SMILESCc1cccc(N(NC(=O)C(O)(c2ccccc2)c2cccs2)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H22N2O3S/c1-19-10-8-15-22(18-19)28(24(29)20-11-4-2-5-12-20)27-25(30)26(31,23-16-9-17-32-23)21-13-6-3-7-14-21/h2-18,31H,1H3,(H,27,30)
InChIKeyQCMJMOWFCODCMC-UHFFFAOYSA-N
XLogP4.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide?
The IUPAC name of N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide (CID 3734254) is N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide?
The canonical SMILES for N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide is Cc1cccc(N(NC(=O)C(O)(c2ccccc2)c2cccs2)C(=O)c2ccccc2)c1.
What is the InChIKey of N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide?
The InChIKey is QCMJMOWFCODCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-19-10-8-15-22(18-19)28(24(29)20-11-4-2-5-12-20)27-25(30)26(31,23-16-9-17-32-23)21-13-6-3-7-14-21/h2-18,31H,1H3,(H,27,30).
What are the key properties of N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide?
N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide has a molecular weight of 442.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide is sourced from PubChem (CID 3734254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).