2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide

C15H16F2N2O2S — CID 24641935

IUPAC2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C15H16F2N2O2S/c1-10(6-7-11-4-3-9-21-11)19-13(20)12-5-2-8-18-14(12)22-15(16)17/h2-5,8-10,15H,6-7H2,1H3,(H,19,20)
InChIKeyIKGRIJUYAKCGBN-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.74
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide (PubChem CID 24641935) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
PubChem CID24641935
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C15H16F2N2O2S/c1-10(6-7-11-4-3-9-21-11)19-13(20)12-5-2-8-18-14(12)22-15(16)17/h2-5,8-10,15H,6-7H2,1H3,(H,19,20)
InChIKeyIKGRIJUYAKCGBN-UHFFFAOYSA-N
XLogP3.74
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 18113801
N-[4-(furan-2-yl)butan-2-yl]-2-methoxybenzamide
CID 18162458
N-[1-(furan-2-yl)propan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62180683
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
N-[(2S)-4-(furan-2-yl)butan-2-yl]-2-methyl-3-(pyridin-2-ylmethylamino)benzamide
CID 95147228
4-fluoro-N-[4-(furan-2-yl)butan-2-yl]-2-methylbenzamide
CID 115745188
2-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methylbenzamide
CID 79769993
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
5-bromo-N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 62178288
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide (CID 24641935) is 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide is CC(CCc1ccco1)NC(=O)c1cccnc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is IKGRIJUYAKCGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c1-10(6-7-11-4-3-9-21-11)19-13(20)12-5-2-8-18-14(12)22-15(16)17/h2-5,8-10,15H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24641935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).