N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide

C23H21FN2O2S — CID 4853545

IUPACN'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21FN2O2S/c24-19-11-13-20(14-12-19)29-16-15-21(27)25-26-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,25,27)(H,26,28)
InChIKeyLMJJWQJWSHGNIQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.29
Rot. Bonds7

About N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide

N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide (PubChem CID 4853545) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
PubChem CID4853545
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21FN2O2S/c24-19-11-13-20(14-12-19)29-16-15-21(27)25-26-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,25,27)(H,26,28)
InChIKeyLMJJWQJWSHGNIQ-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The IUPAC name of N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide (CID 4853545) is N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide.
What is the SMILES notation for N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The canonical SMILES for N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide is O=C(CCSc1ccc(F)cc1)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide?
The InChIKey is LMJJWQJWSHGNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c24-19-11-13-20(14-12-19)29-16-15-21(27)25-26-23(28)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,25,27)(H,26,28).
What are the key properties of N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide?
N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide has a molecular weight of 408.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylacetyl)-3-(4-fluorophenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 4853545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).