(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide

C14H18F3NO3S — CID 97108925

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide
SMILESCc1ccc([C@](O)(CC(=O)NC[C@@H]2CCCS2)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3S/c1-9-4-5-11(21-9)13(20,14(15,16)17)7-12(19)18-8-10-3-2-6-22-10/h4-5,10,20H,2-3,6-8H2,1H3,(H,18,19)/t10-,13+/m0/s1
InChIKeyWTWNETUHDXGEBM-GXFFZTMASA-N
MW337.36 g/mol
LogP2.74
Rot. Bonds5

About (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide

(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide (PubChem CID 97108925) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide
PubChem CID97108925
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide
SMILESCc1ccc([C@](O)(CC(=O)NC[C@@H]2CCCS2)C(F)(F)F)o1
InChIInChI=1S/C14H18F3NO3S/c1-9-4-5-11(21-9)13(20,14(15,16)17)7-12(19)18-8-10-3-2-6-22-10/h4-5,10,20H,2-3,6-8H2,1H3,(H,18,19)/t10-,13+/m0/s1
InChIKeyWTWNETUHDXGEBM-GXFFZTMASA-N
XLogP2.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide (CID 97108925) is (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide is Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CCCS2)C(F)(F)F)o1.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide?
The InChIKey is WTWNETUHDXGEBM-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-9-4-5-11(21-9)13(20,14(15,16)17)7-12(19)18-8-10-3-2-6-22-10/h4-5,10,20H,2-3,6-8H2,1H3,(H,18,19)/t10-,13+/m0/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide?
(3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide has a molecular weight of 337.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[[(2S)-thiolan-2-yl]methyl]butanamide is sourced from PubChem (CID 97108925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).