2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide

C18H19F2N3O3S — CID 24547275

IUPAC2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cccnc2SC(F)F)c1C
InChIInChI=1S/C18H19F2N3O3S/c1-10-6-4-8-14(11(10)2)26-12(3)15(24)22-23-16(25)13-7-5-9-21-17(13)27-18(19)20/h4-9,12,18H,1-3H3,(H,22,24)(H,23,25)
InChIKeyTUVKXHNMCGIJOX-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.24
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide

2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide (PubChem CID 24547275) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide
PubChem CID24547275
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)c2cccnc2SC(F)F)c1C
InChIInChI=1S/C18H19F2N3O3S/c1-10-6-4-8-14(11(10)2)26-12(3)15(24)22-23-16(25)13-7-5-9-21-17(13)27-18(19)20/h4-9,12,18H,1-3H3,(H,22,24)(H,23,25)
InChIKeyTUVKXHNMCGIJOX-UHFFFAOYSA-N
XLogP3.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.24
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'-[2-(2,3-dimethylphenoxy)propanoyl]-2,6-difluorobenzohydrazide
CID 43008416
2,5-dichloro-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 42996241
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589345
4-(difluoromethoxy)-N'-[2-(2,3-dimethylphenoxy)propanoyl]benzohydrazide
CID 43004004
5-bromo-N'-[2-(2,3-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 43011953
N'-[(2S)-2-(2,3-dimethylphenoxy)propanoyl]-2,5-dimethoxybenzohydrazide
CID 8640532
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 55341907
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-fluoro-4-methylbenzohydrazide
CID 42887837
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-4-methylthiadiazole-5-carbohydrazide
CID 9088832
N'-[2-(2,3-dimethylphenoxy)propanoyl]-3-iodobenzohydrazide
CID 43004027

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide (CID 24547275) is 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)c2cccnc2SC(F)F)c1C.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide?
The InChIKey is TUVKXHNMCGIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-10-6-4-8-14(11(10)2)26-12(3)15(24)22-23-16(25)13-7-5-9-21-17(13)27-18(19)20/h4-9,12,18H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide?
2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide has a molecular weight of 395.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N'-[2-(2,3-dimethylphenoxy)propanoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 24547275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).