2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide

C19H15F2N3O4S — CID 24553921

IUPAC2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1SC(F)F)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H15F2N3O4S/c20-19(21)29-18-14(7-4-10-22-18)16(25)23-24-17(26)15-9-8-13(28-15)11-27-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,23,25)(H,24,26)
InChIKeyULODKIRAOJGONO-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.64
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide

2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide (PubChem CID 24553921) has the molecular formula C19H15F2N3O4S and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide
PubChem CID24553921
Molecular FormulaC19H15F2N3O4S
Molecular Weight419.41 g/mol
Exact Mass419.08
IUPAC Name2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1SC(F)F)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C19H15F2N3O4S/c20-19(21)29-18-14(7-4-10-22-18)16(25)23-24-17(26)15-9-8-13(28-15)11-27-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,23,25)(H,24,26)
InChIKeyULODKIRAOJGONO-UHFFFAOYSA-N
XLogP3.64
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N'-(2,4-dichloro-5-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 46656994
2-(difluoromethylsulfanyl)-N'-(1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
CID 78813989
N'-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 33007347
3-amino-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
CID 46690618
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide (CID 24553921) is 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1SC(F)F)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide?
The InChIKey is ULODKIRAOJGONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4S/c20-19(21)29-18-14(7-4-10-22-18)16(25)23-24-17(26)15-9-8-13(28-15)11-27-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,23,25)(H,24,26).
What are the key properties of 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide?
2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide has a molecular weight of 419.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 24553921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).