2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide

C15H14F2N2OS2 — CID 78810821

IUPAC2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cccnc1SC(F)F
InChIInChI=1S/C15H14F2N2OS2/c16-15(17)22-14-12(7-4-8-19-14)13(20)18-9-10-21-11-5-2-1-3-6-11/h1-8,15H,9-10H2,(H,18,20)
InChIKeyAJOZSMTZKHYGKD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.92
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 78810821) has the molecular formula C15H14F2N2OS2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
PubChem CID78810821
Molecular FormulaC15H14F2N2OS2
Molecular Weight340.42 g/mol
Exact Mass340.05
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cccnc1SC(F)F
InChIInChI=1S/C15H14F2N2OS2/c16-15(17)22-14-12(7-4-8-19-14)13(20)18-9-10-21-11-5-2-1-3-6-11/h1-8,15H,9-10H2,(H,18,20)
InChIKeyAJOZSMTZKHYGKD-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 18113801
2-(difluoromethylsulfanyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86929035
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78868278
2-(difluoromethylsulfanyl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 78806718
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
2-amino-N-(2-phenylsulfanylethyl)benzamide
CID 60977100
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021
2-(difluoromethylsulfanyl)-N-[(1-hydroxycycloheptyl)methyl]pyridine-3-carboxamide
CID 111428733
2-(difluoromethylsulfanyl)-N-[[3-(phenoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55954790
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-(difluoromethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 17429690

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide (CID 78810821) is 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide is O=C(NCCSc1ccccc1)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is AJOZSMTZKHYGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS2/c16-15(17)22-14-12(7-4-8-19-14)13(20)18-9-10-21-11-5-2-1-3-6-11/h1-8,15H,9-10H2,(H,18,20).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78810821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).