2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C17H24N2O2S — CID 97474234

IUPAC2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C[C@H]2CN(C3CCC3)C[C@H]2O1)NCc1cccs1
InChIInChI=1S/C17H24N2O2S/c20-17(18-9-15-5-2-6-22-15)8-14-7-12-10-19(11-16(12)21-14)13-3-1-4-13/h2,5-6,12-14,16H,1,3-4,7-11H2,(H,18,20)/t12-,14-,16+/m0/s1
InChIKeyGWVCDAMJIYLDGM-DUVNUKRYSA-N
MW320.46 g/mol
LogP2.40
Rot. Bonds5

About 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 97474234) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID97474234
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C[C@H]2CN(C3CCC3)C[C@H]2O1)NCc1cccs1
InChIInChI=1S/C17H24N2O2S/c20-17(18-9-15-5-2-6-22-15)8-14-7-12-10-19(11-16(12)21-14)13-3-1-4-13/h2,5-6,12-14,16H,1,3-4,7-11H2,(H,18,20)/t12-,14-,16+/m0/s1
InChIKeyGWVCDAMJIYLDGM-DUVNUKRYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(2R,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97476502
(2R,3aS,7aS)-6-cyclopentyl-N-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366557
2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97474317
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
2-[(1S,3aS,7aS)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 124787514
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2,2-dimethyl-N-[(1R,5R)-9-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-9-azabicyclo[3.3.1]nonan-3-yl]propanamide
CID 98111261
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-(2-formylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 62656444
(2S,3aR,7aS)-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125149463
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 97474234) is 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(C[C@@H]1C[C@H]2CN(C3CCC3)C[C@H]2O1)NCc1cccs1.
What is the InChIKey of 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GWVCDAMJIYLDGM-DUVNUKRYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-17(18-9-15-5-2-6-22-15)8-14-7-12-10-19(11-16(12)21-14)13-3-1-4-13/h2,5-6,12-14,16H,1,3-4,7-11H2,(H,18,20)/t12-,14-,16+/m0/s1.
What are the key properties of 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 97474234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).