3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

C16H24FNO2S — CID 103940981

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C16H24FNO2S/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyAQUCAHCPVYKSAD-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.22
Rot. Bonds7

About 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide

3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (PubChem CID 103940981) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
PubChem CID103940981
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C16H24FNO2S/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20)
InChIKeyAQUCAHCPVYKSAD-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide (CID 103940981) is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is CC(C)(C)C(CCO)NC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
The InChIKey is AQUCAHCPVYKSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-16(2,3)14(8-10-19)18-15(20)9-11-21-13-7-5-4-6-12(13)17/h4-7,14,19H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide?
3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide has a molecular weight of 313.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide is sourced from PubChem (CID 103940981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).