2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide

C16H23NO2S — CID 124598335

IUPAC2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS[C@@H]1CCO[C@@H]1C)c1ccccc1
InChIInChI=1S/C16H23NO2S/c1-12(2)17(14-7-5-4-6-8-14)16(18)11-20-15-9-10-19-13(15)3/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyOJDONGOKTJPMKL-UKRRQHHQSA-N
MW293.43 g/mol
LogP3.34
Rot. Bonds5

About 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide

2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide (PubChem CID 124598335) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
PubChem CID124598335
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CS[C@@H]1CCO[C@@H]1C)c1ccccc1
InChIInChI=1S/C16H23NO2S/c1-12(2)17(14-7-5-4-6-8-14)16(18)11-20-15-9-10-19-13(15)3/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1
InChIKeyOJDONGOKTJPMKL-UKRRQHHQSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
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
propan-2-yl 2-(2-methyloxolan-3-yl)sulfanylacetate
CID 103847391
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
N-(2-fluorophenyl)-2-[(2R,3R)-2-methyloxolan-3-yl]sulfanylacetamide
CID 97326710
2-dihydroxyphosphinothioylsulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 149151907
3-[2-(2-methyloxolan-3-yl)sulfanylethylsulfonyl]benzoic acid
CID 107760732
N-(4-anilinophenyl)-2-(oxan-4-yl)-N-propan-2-ylacetamide
CID 166209237
3-[(2-methyloxolan-3-yl)sulfanylmethyl]benzoic acid
CID 107746125
2-morpholin-4-ium-4-yl-N-phenyl-N-propan-2-ylacetamide
CID 2303532
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16585681
1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752409

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide (CID 124598335) is 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CS[C@@H]1CCO[C@@H]1C)c1ccccc1.
What is the InChIKey of 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is OJDONGOKTJPMKL-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12(2)17(14-7-5-4-6-8-14)16(18)11-20-15-9-10-19-13(15)3/h4-8,12-13,15H,9-11H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide?
2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 293.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-methyloxolan-3-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 124598335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).