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

C19H28N2O2S — CID 124787514

IUPAC2-[(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
SMILESO=C(C[C@@H]1OC[C@@H]2CN(C3CCC3)CC[C@@H]21)NCCc1cccs1
InChIInChI=1S/C19H28N2O2S/c22-19(20-8-6-16-5-2-10-24-16)11-18-17-7-9-21(15-3-1-4-15)12-14(17)13-23-18/h2,5,10,14-15,17-18H,1,3-4,6-9,11-13H2,(H,20,22)/t14-,17-,18-/m0/s1
InChIKeyQZEAVXCOFQPMIW-WBAXXEDZSA-N
MW348.51 g/mol
LogP2.69
Rot. Bonds6

About 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

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 (PubChem CID 124787514) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID124787514
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-[(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
SMILESO=C(C[C@@H]1OC[C@@H]2CN(C3CCC3)CC[C@@H]21)NCCc1cccs1
InChIInChI=1S/C19H28N2O2S/c22-19(20-8-6-16-5-2-10-24-16)11-18-17-7-9-21(15-3-1-4-15)12-14(17)13-23-18/h2,5,10,14-15,17-18H,1,3-4,6-9,11-13H2,(H,20,22)/t14-,17-,18-/m0/s1
InChIKeyQZEAVXCOFQPMIW-WBAXXEDZSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-[(1S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97487050
2-[(1S,3aR,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155854680
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
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
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 79087743
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C[C@@H]1OC[C@@H]2CN(C3CCC3)CC[C@@H]21)NCCc1cccs1.
What is the InChIKey of 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?
The InChIKey is QZEAVXCOFQPMIW-WBAXXEDZSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-19(20-8-6-16-5-2-10-24-16)11-18-17-7-9-21(15-3-1-4-15)12-14(17)13-23-18/h2,5,10,14-15,17-18H,1,3-4,6-9,11-13H2,(H,20,22)/t14-,17-,18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 348.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124787514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).