2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide

C14H18FNO2S — CID 103279828

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1CCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-11-2-5-13(6-3-11)19-9-14(18)16-8-10-1-4-12(17)7-10/h2-3,5-6,10,12,17H,1,4,7-9H2,(H,16,18)
InChIKeyZZAPBCILCBPDRT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide (PubChem CID 103279828) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
PubChem CID103279828
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC1CCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-11-2-5-13(6-3-11)19-9-14(18)16-8-10-1-4-12(17)7-10/h2-3,5-6,10,12,17H,1,4,7-9H2,(H,16,18)
InChIKeyZZAPBCILCBPDRT-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106123655
2-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylphenyl]acetic acid
CID 64927967
N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide
CID 103280293
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylacetamide
CID 106137763
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71782115
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
2-(3-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280490
3-(2-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280030

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide (CID 103279828) is 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide is O=C(CSc1ccc(F)cc1)NCC1CCC(O)C1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide?
The InChIKey is ZZAPBCILCBPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-11-2-5-13(6-3-11)19-9-14(18)16-8-10-1-4-12(17)7-10/h2-3,5-6,10,12,17H,1,4,7-9H2,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide is sourced from PubChem (CID 103279828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).