2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

C16H15F3N2O3S — CID 112781027

IUPAC2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(SCc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3S/c1-9(25-8-10-3-2-6-24-10)16(23)20-7-13(22)21-12-5-4-11(17)14(18)15(12)19/h2-6,9H,7-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyGRZXWHVELMCHHI-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.07
Rot. Bonds7

About 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide

2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (PubChem CID 112781027) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
PubChem CID112781027
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
SMILESCC(SCc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H15F3N2O3S/c1-9(25-8-10-3-2-6-24-10)16(23)20-7-13(22)21-12-5-4-11(17)14(18)15(12)19/h2-6,9H,7-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyGRZXWHVELMCHHI-UHFFFAOYSA-N
XLogP3.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[furan-2-ylmethyl(methyl)amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26518608
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 49154304
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)propanamide
CID 23970430
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 2515229
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
(2S)-2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40942268
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26495308
2-[[2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16513714
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide (CID 112781027) is 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is CC(SCc1ccco1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
The InChIKey is GRZXWHVELMCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-9(25-8-10-3-2-6-24-10)16(23)20-7-13(22)21-12-5-4-11(17)14(18)15(12)19/h2-6,9H,7-8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide?
2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide has a molecular weight of 372.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide is sourced from PubChem (CID 112781027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).