N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide

C20H20N2OS — CID 54229130

IUPACN-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide
SMILESCC(Cc1ccccc1)(C(=S)NCc1ccco1)c1ccccn1
InChIInChI=1S/C20H20N2OS/c1-20(18-11-5-6-12-21-18,14-16-8-3-2-4-9-16)19(24)22-15-17-10-7-13-23-17/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyQHZBCVLNPPEUEO-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.29
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide

N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide (PubChem CID 54229130) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide
PubChem CID54229130
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide
SMILESCC(Cc1ccccc1)(C(=S)NCc1ccco1)c1ccccn1
InChIInChI=1S/C20H20N2OS/c1-20(18-11-5-6-12-21-18,14-16-8-3-2-4-9-16)19(24)22-15-17-10-7-13-23-17/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyQHZBCVLNPPEUEO-UHFFFAOYSA-N
XLogP4.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
CID 58911707
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-(furan-2-ylmethoxy)-2-pyridin-2-ylpropanoic acid
CID 114989469
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
N-(furan-2-ylmethyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 43084599
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
1-(3,3-dimethylbutan-2-yl)-3-(furan-2-ylmethyl)thiourea
CID 17277646
N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401992
N-(furan-2-ylmethyl)-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396718
amino N-(furan-2-ylmethyl)carbamodithioate
CID 4258189

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide (CID 54229130) is N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide is CC(Cc1ccccc1)(C(=S)NCc1ccco1)c1ccccn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide?
The InChIKey is QHZBCVLNPPEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-20(18-11-5-6-12-21-18,14-16-8-3-2-4-9-16)19(24)22-15-17-10-7-13-23-17/h2-13H,14-15H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide?
N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide has a molecular weight of 336.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-3-phenyl-2-pyridin-2-ylpropanethioamide is sourced from PubChem (CID 54229130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).