N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide

C14H12F2N2O3S — CID 9326513

IUPACN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3S/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-6-9(15)2-3-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYAUGAJDHFXGJDY-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.42
Rot. Bonds4

About N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide

N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide (PubChem CID 9326513) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide
PubChem CID9326513
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O3S/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-6-9(15)2-3-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyYAUGAJDHFXGJDY-UHFFFAOYSA-N
XLogP2.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.42
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'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide (CID 9326513) is N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)CSc1cc(F)ccc1F.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is YAUGAJDHFXGJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-6-9(15)2-3-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide?
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 326.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 9326513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).