N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide

C13H16FNO2S — CID 97326710

IUPACN-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
SMILESC[C@H]1OCC[C@H]1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H16FNO2S/c1-9-12(6-7-17-9)18-8-13(16)15-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyQDVJENWYFVBVQM-BXKDBHETSA-N
MW269.34 g/mol
LogP2.67
Rot. Bonds4

About N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide (PubChem CID 97326710) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
PubChem CID97326710
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC NameN-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
SMILESC[C@H]1OCC[C@H]1SCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H16FNO2S/c1-9-12(6-7-17-9)18-8-13(16)15-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-,12-/m1/s1
InChIKeyQDVJENWYFVBVQM-BXKDBHETSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752371
1-(2,6-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752436
N-(5-amino-2-fluorophenyl)-3-(2-methyloxolan-3-yl)sulfanylpropanamide
CID 107748281
N-(3-amino-4-chlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748298
N-(2-fluorophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110858575
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
S-[2-(2-fluoroanilino)-2-oxoethyl] N-[(3S)-2-oxooxolan-3-yl]carbamothioate
CID 71714092
2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 124598335
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide (CID 97326710) is N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide is C[C@H]1OCC[C@H]1SCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide?
The InChIKey is QDVJENWYFVBVQM-BXKDBHETSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-9-12(6-7-17-9)18-8-13(16)15-11-5-3-2-4-10(11)14/h2-5,9,12H,6-8H2,1H3,(H,15,16)/t9-,12-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide has a molecular weight of 269.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 97326710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).