2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide

C14H14F2N2O2S2 — CID 18113801

IUPAC2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCSCc1ccco1)c1cccnc1SC(F)F
InChIInChI=1S/C14H14F2N2O2S2/c15-14(16)22-13-11(4-1-5-18-13)12(19)17-6-8-21-9-10-3-2-7-20-10/h1-5,7,14H,6,8-9H2,(H,17,19)
InChIKeyQRESZJAZGUHTIH-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.65
Rot. Bonds8

About 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide (PubChem CID 18113801) has the molecular formula C14H14F2N2O2S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
PubChem CID18113801
Molecular FormulaC14H14F2N2O2S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCSCc1ccco1)c1cccnc1SC(F)F
InChIInChI=1S/C14H14F2N2O2S2/c15-14(16)22-13-11(4-1-5-18-13)12(19)17-6-8-21-9-10-3-2-7-20-10/h1-5,7,14H,6,8-9H2,(H,17,19)
InChIKeyQRESZJAZGUHTIH-UHFFFAOYSA-N
XLogP3.65
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide 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

2-(difluoromethylsulfanyl)-N-(2-phenylsulfanylethyl)pyridine-3-carboxamide
CID 78810821
2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 24641935
2-(difluoromethylsulfanyl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 78806718
2-(difluoromethylsulfanyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 18161411
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78868278
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349016
2-(difluoromethylsulfanyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86929035
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
2-(difluoromethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24553021

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide (CID 18113801) is 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide is O=C(NCCSCc1ccco1)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide?
The InChIKey is QRESZJAZGUHTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S2/c15-14(16)22-13-11(4-1-5-18-13)12(19)17-6-8-21-9-10-3-2-7-20-10/h1-5,7,14H,6,8-9H2,(H,17,19).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18113801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).