2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C15H20FNO2S — CID 115759779

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)CSc1ccccc1F
InChIInChI=1S/C15H20FNO2S/c1-17(11-15(19)8-4-5-9-15)14(18)10-20-13-7-3-2-6-12(13)16/h2-3,6-7,19H,4-5,8-11H2,1H3
InChIKeyYYXIMXDUCXIJCP-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 115759779) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID115759779
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)CSc1ccccc1F
InChIInChI=1S/C15H20FNO2S/c1-17(11-15(19)8-4-5-9-15)14(18)10-20-13-7-3-2-6-12(13)16/h2-3,6-7,19H,4-5,8-11H2,1H3
InChIKeyYYXIMXDUCXIJCP-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-Fluorophenyl)sulfanylpyrrolidin-1-yl]-(4-hydroxythian-4-yl)methanone
CID 134374476
2-((4-fluorophenyl)thio)-N-((1-hydroxycyclopentyl)methyl)acetamide
CID 49718010
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-phenylsulfanylethanone
CID 60343123
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 60343372
N-cyclopentyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 61584360
N-cyclopentyl-2-(4-fluorophenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 61584582
2-(2-Fluorophenyl)sulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62356944
2-(4-Fluorophenyl)sulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357952
3-(4-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64178409
2-(3,4-difluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64178419
3-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64178423
2-[(4-fluorophenyl)methylsulfanyl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64195185

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 115759779) is 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)CSc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is YYXIMXDUCXIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-17(11-15(19)8-4-5-9-15)14(18)10-20-13-7-3-2-6-12(13)16/h2-3,6-7,19H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 297.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).