N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C14H13F2N3O3S — CID 8883901

IUPACN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H13F2N3O3S/c15-14(16)23-9-11-5-4-10(22-11)7-17-18-12(20)8-19-6-2-1-3-13(19)21/h1-7,14H,8-9H2,(H,18,20)/b17-7-
InChIKeyBEYNCWMDAUNVKG-IDUWFGFVSA-N
MW341.34 g/mol
LogP2.05
Rot. Bonds7

About N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883901) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8883901
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC NameN-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\c1ccc(CSC(F)F)o1
InChIInChI=1S/C14H13F2N3O3S/c15-14(16)23-9-11-5-4-10(22-11)7-17-18-12(20)8-19-6-2-1-3-13(19)21/h1-7,14H,8-9H2,(H,18,20)/b17-7-
InChIKeyBEYNCWMDAUNVKG-IDUWFGFVSA-N
XLogP2.05
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 9242399
2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
CID 9016448
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882962
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532
methyl 4-[(Z)-[[2-(2-oxo-1-pyridinyl)acetyl]hydrazinylidene]methyl]benzoate
CID 8883336
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884016
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883606
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882819
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883525
N-[(5-chlorofuran-2-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 131878401

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8883901) is N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N/N=C\c1ccc(CSC(F)F)o1.
What is the InChIKey of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is BEYNCWMDAUNVKG-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c15-14(16)23-9-11-5-4-10(22-11)7-17-18-12(20)8-19-6-2-1-3-13(19)21/h1-7,14H,8-9H2,(H,18,20)/b17-7-.
What are the key properties of N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8883901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).