N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

C18H16N2O2S — CID 18160453

IUPACN-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-20(13-14-7-6-12-22-14)18(21)16-10-5-11-19-17(16)23-15-8-3-2-4-9-15/h2-12H,13H2,1H3
InChIKeyJVYFTKLFJNLOLG-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.10
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide

N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 18160453) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID18160453
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H16N2O2S/c1-20(13-14-7-6-12-22-14)18(21)16-10-5-11-19-17(16)23-15-8-3-2-4-9-15/h2-12H,13H2,1H3
InChIKeyJVYFTKLFJNLOLG-UHFFFAOYSA-N
XLogP4.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24638864
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24660756
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18160430
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 18153483
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111596655
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide (CID 18160453) is N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is CN(Cc1ccco1)C(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is JVYFTKLFJNLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20(13-14-7-6-12-22-14)18(21)16-10-5-11-19-17(16)23-15-8-3-2-4-9-15/h2-12H,13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 18160453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).