N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide

C26H22N2O3S — CID 2857834

IUPACN'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide
SMILESCc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C26H22N2O3S/c1-19-14-16-21(17-15-19)26(31,23-13-8-18-32-23)25(30)27-28(22-11-6-3-7-12-22)24(29)20-9-4-2-5-10-20/h2-18,31H,1H3,(H,27,30)
InChIKeyZYDCHDHZRPYFIM-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.67
Rot. Bonds5

About N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide

N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide (PubChem CID 2857834) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide
PubChem CID2857834
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide
SMILESCc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C26H22N2O3S/c1-19-14-16-21(17-15-19)26(31,23-13-8-18-32-23)25(30)27-28(22-11-6-3-7-12-22)24(29)20-9-4-2-5-10-20/h2-18,31H,1H3,(H,27,30)
InChIKeyZYDCHDHZRPYFIM-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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Related Compounds

N'-(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-N-(3-methylphenyl)benzohydrazide
CID 3734254
N-(4-methoxyphenyl)-N'-[2-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)acetyl]benzohydrazide
CID 5131377
N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide
CID 1494298
2-hydroxy-2,2-dithiophen-2-ylacetic acid;hydrate
CID 141178133
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 139719107
N-(2-hydroxy-2-phenylpropyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 111825074
N-tert-butyl-N'-(4-methylbenzoyl)thiophene-2-carbohydrazide
CID 23200654
[4-(dimethylamino)phenyl]-phenyl-thiophen-2-ylmethanol
CID 14324031
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
2-methyl-2-thiophen-2-ylpropanoic acid;hydrochloride
CID 67842906
2-hydroxy-2-(2-methoxyphenyl)-N'-(4-methylphenyl)-2-thiophen-2-ylacetohydrazide
CID 3479153
N'-(3-chlorophenyl)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetohydrazide
CID 3264601

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide?
The IUPAC name of N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide (CID 2857834) is N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide?
The canonical SMILES for N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide is Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2cccs2)cc1.
What is the InChIKey of N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide?
The InChIKey is ZYDCHDHZRPYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-19-14-16-21(17-15-19)26(31,23-13-8-18-32-23)25(30)27-28(22-11-6-3-7-12-22)24(29)20-9-4-2-5-10-20/h2-18,31H,1H3,(H,27,30).
What are the key properties of N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide?
N'-[2-hydroxy-2-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide 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-(4-methylphenyl)-2-thiophen-2-ylacetyl]-N-phenylbenzohydrazide is sourced from PubChem (CID 2857834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).