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

C15H22FNO2S — CID 61245785

IUPAC3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-11(2)9-12(10-18)17-15(19)7-8-20-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyVFLHCCRIMOUUAV-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.83
Rot. Bonds8

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

3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 61245785) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID61245785
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccccc1F
InChIInChI=1S/C15H22FNO2S/c1-11(2)9-12(10-18)17-15(19)7-8-20-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19)
InChIKeyVFLHCCRIMOUUAV-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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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
(2S)-3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 61136612
(2S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 61136773
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787191
2-((4-fluorophenyl)thio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
CID 71787594
N-((1-(hydroxymethyl)cyclopropyl)methyl)-3-(phenylthio)propanamide
CID 49739142
N-(2-cyclopropyl-2-hydroxypropyl)-3-(phenylthio)propanamide
CID 52992759
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]3-(phenylthio)propionamide
CID 95984351
N-[(S)-3-cyclopropyl-3-hydroxypropyl]3-(phenylthio)propionamide
CID 96349889
2-((4-fluorophenyl)thio)-N-((1-(hydroxymethyl)cyclopropyl)methyl)acetamide
CID 49739144
N-(2-cyclohexyl-2-hydroxyethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71782115
N-[2-[p-Fluorophenylthio]ethyl]-4-hydroxybutyramide
CID 593020

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 61245785) is 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCSc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is VFLHCCRIMOUUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-11(2)9-12(10-18)17-15(19)7-8-20-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(2-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-(2-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 61245785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).