5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C18H22N2O3S — CID 90648755

IUPAC5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N(Cc2ccncc2)CC2CCCO2)o1
InChIInChI=1S/C18H22N2O3S/c1-24-13-16-4-5-17(23-16)18(21)20(12-15-3-2-10-22-15)11-14-6-8-19-9-7-14/h4-9,15H,2-3,10-13H2,1H3
InChIKeyAZOHTNKETRGIGB-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.36
Rot. Bonds7

About 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 90648755) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID90648755
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N(Cc2ccncc2)CC2CCCO2)o1
InChIInChI=1S/C18H22N2O3S/c1-24-13-16-4-5-17(23-16)18(21)20(12-15-3-2-10-22-15)11-14-6-8-19-9-7-14/h4-9,15H,2-3,10-13H2,1H3
InChIKeyAZOHTNKETRGIGB-UHFFFAOYSA-N
XLogP3.36
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
1-methyl-5-[oxolan-2-ylmethyl(pyridin-4-ylmethyl)carbamoyl]pyrrole-2-carboxylic acid
CID 166275346
3-chloro-4-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 97347862
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
5-[(2-methylsulfanylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 45228784
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 99954668
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)imidazo[2,1-e]pyrazole-7-carboxamide
CID 95133340
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99941251
N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090970
1,1-bis[[(2R)-oxolan-2-yl]methyl]-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 52520502

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 90648755) is 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)N(Cc2ccncc2)CC2CCCO2)o1.
What is the InChIKey of 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is AZOHTNKETRGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-24-13-16-4-5-17(23-16)18(21)20(12-15-3-2-10-22-15)11-14-6-8-19-9-7-14/h4-9,15H,2-3,10-13H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 90648755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).