2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide

C13H18FNO2S — CID 115767175

IUPAC2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)CSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-10(7-8-16)15-13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyQZVIMPSKBZHUDL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds7

About 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide (PubChem CID 115767175) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
PubChem CID115767175
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide
SMILESCCC(CCO)NC(=O)CSc1ccccc1F
InChIInChI=1S/C13H18FNO2S/c1-2-10(7-8-16)15-13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17)
InChIKeyQZVIMPSKBZHUDL-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
2-(2,4-difluorophenyl)sulfanyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850779
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
2-(2,5-dichlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390208
2-(2-fluorophenyl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 95279801
1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
CID 79446136

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide (CID 115767175) is 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide is CCC(CCO)NC(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide?
The InChIKey is QZVIMPSKBZHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-10(7-8-16)15-13(17)9-18-12-6-4-3-5-11(12)14/h3-6,10,16H,2,7-9H2,1H3,(H,15,17).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(1-hydroxypentan-3-yl)acetamide is sourced from PubChem (CID 115767175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).