3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C14H18FNO3S — CID 103849539

IUPAC3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCC1(O)CCOC1
InChIInChI=1S/C14H18FNO3S/c15-11-3-1-2-4-12(11)20-8-5-13(17)16-9-14(18)6-7-19-10-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyCGLBVYUQGSKRQT-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.58
Rot. Bonds6

About 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103849539) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103849539
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCSc1ccccc1F)NCC1(O)CCOC1
InChIInChI=1S/C14H18FNO3S/c15-11-3-1-2-4-12(11)20-8-5-13(17)16-9-14(18)6-7-19-10-14/h1-4,18H,5-10H2,(H,16,17)
InChIKeyCGLBVYUQGSKRQT-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(2-fluorophenyl)sulfanylpropanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449302
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 71909802
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
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3-(2-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 126851273
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
3-(2-fluorophenyl)sulfanyl-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032259
2-[[2-[3-(2-fluorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43465386
3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103849539) is 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CCSc1ccccc1F)NCC1(O)CCOC1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is CGLBVYUQGSKRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c15-11-3-1-2-4-12(11)20-8-5-13(17)16-9-14(18)6-7-19-10-14/h1-4,18H,5-10H2,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 299.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103849539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).