5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide

C20H15FN2O3S — CID 37214158

IUPAC5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-2-4-14(5-3-12)18(24)20(26)23-22-19(25)17-11-10-16(27-17)13-6-8-15(21)9-7-13/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeyQLSWVSAKLIEVIG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.51
Rot. Bonds4

About 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide

5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide (PubChem CID 37214158) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
PubChem CID37214158
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H15FN2O3S/c1-12-2-4-14(5-3-12)18(24)20(26)23-22-19(25)17-11-10-16(27-17)13-6-8-15(21)9-7-13/h2-11H,1H3,(H,22,25)(H,23,26)
InChIKeyQLSWVSAKLIEVIG-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide (CID 37214158) is 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide is Cc1ccc(C(=O)C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide?
The InChIKey is QLSWVSAKLIEVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c1-12-2-4-14(5-3-12)18(24)20(26)23-22-19(25)17-11-10-16(27-17)13-6-8-15(21)9-7-13/h2-11H,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide?
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 37214158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).