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

C15H22FNO2S — CID 61246189

IUPAC3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-11(2)9-13(10-18)17-15(19)7-8-20-14-5-3-12(16)4-6-14/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyPOCQXRYXWDAAJU-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.83
Rot. Bonds8

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

3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61246189) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61246189
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-11(2)9-13(10-18)17-15(19)7-8-20-14-5-3-12(16)4-6-14/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyPOCQXRYXWDAAJU-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61246189) is 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is POCQXRYXWDAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-11(2)9-13(10-18)17-15(19)7-8-20-14-5-3-12(16)4-6-14/h3-6,11,13,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide has a molecular weight of 299.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61246189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).