N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C20H17FN2O4S — CID 9219782

IUPACN'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17FN2O4S/c21-14-6-9-17(10-7-14)28-13-19(24)22-23-20(25)18-11-8-16(27-18)12-26-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyQHGDMQMNDHHLHR-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.55
Rot. Bonds7

About N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9219782) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9219782
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC NameN'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H17FN2O4S/c21-14-6-9-17(10-7-14)28-13-19(24)22-23-20(25)18-11-8-16(27-18)12-26-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyQHGDMQMNDHHLHR-UHFFFAOYSA-N
XLogP3.55
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 46612528
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9219782) is N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(CSc1ccc(F)cc1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is QHGDMQMNDHHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c21-14-6-9-17(10-7-14)28-13-19(24)22-23-20(25)18-11-8-16(27-18)12-26-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 400.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)sulfanylacetyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).