N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide

C15H15FN2O3S — CID 9472529

IUPACN'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-10-13(6-8-21-10)15(20)18-17-14(19)7-9-22-12-4-2-11(16)3-5-12/h2-6,8H,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyCHCIRDVAMQFTCK-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.67
Rot. Bonds5

About N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide

N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9472529) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide
PubChem CID9472529
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O3S/c1-10-13(6-8-21-10)15(20)18-17-14(19)7-9-22-12-4-2-11(16)3-5-12/h2-6,8H,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyCHCIRDVAMQFTCK-UHFFFAOYSA-N
XLogP2.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.67
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'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide (CID 9472529) is N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is CHCIRDVAMQFTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-10-13(6-8-21-10)15(20)18-17-14(19)7-9-22-12-4-2-11(16)3-5-12/h2-6,8H,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide?
N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 322.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-fluorophenyl)sulfanylpropanoyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9472529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).