N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide

C24H30N2O2S — CID 24894657

IUPACN-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide
SMILESO=C(NC1C2CCC1N(Cc1ccccc1)C2)C(O)(c1cccs1)C1CCCC1
InChIInChI=1S/C24H30N2O2S/c27-23(24(28,19-9-4-5-10-19)21-11-6-14-29-21)25-22-18-12-13-20(22)26(16-18)15-17-7-2-1-3-8-17/h1-3,6-8,11,14,18-20,22,28H,4-5,9-10,12-13,15-16H2,(H,25,27)
InChIKeyOBXYMBVLAGNWMF-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.91
Rot. Bonds6

About N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide

N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide (PubChem CID 24894657) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide
PubChem CID24894657
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide
SMILESO=C(NC1C2CCC1N(Cc1ccccc1)C2)C(O)(c1cccs1)C1CCCC1
InChIInChI=1S/C24H30N2O2S/c27-23(24(28,19-9-4-5-10-19)21-11-6-14-29-21)25-22-18-12-13-20(22)26(16-18)15-17-7-2-1-3-8-17/h1-3,6-8,11,14,18-20,22,28H,4-5,9-10,12-13,15-16H2,(H,25,27)
InChIKeyOBXYMBVLAGNWMF-UHFFFAOYSA-N
XLogP3.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide (CID 24894657) is N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide is O=C(NC1C2CCC1N(Cc1ccccc1)C2)C(O)(c1cccs1)C1CCCC1.
What is the InChIKey of N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide?
The InChIKey is OBXYMBVLAGNWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c27-23(24(28,19-9-4-5-10-19)21-11-6-14-29-21)25-22-18-12-13-20(22)26(16-18)15-17-7-2-1-3-8-17/h1-3,6-8,11,14,18-20,22,28H,4-5,9-10,12-13,15-16H2,(H,25,27).
What are the key properties of N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide?
N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide has a molecular weight of 410.58 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-2-azabicyclo[2.2.1]heptan-7-yl)-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide is sourced from PubChem (CID 24894657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).