N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

C15H20N2O3S — CID 156602249

IUPACN-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
SMILESCCOCC(=O)N1CC2CC1CC2NC(=O)c1cccs1
InChIInChI=1S/C15H20N2O3S/c1-2-20-9-14(18)17-8-10-6-11(17)7-12(10)16-15(19)13-4-3-5-21-13/h3-5,10-12H,2,6-9H2,1H3,(H,16,19)
InChIKeyVPHCTYDSBDZDAU-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.50
Rot. Bonds5

About N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide

N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide (PubChem CID 156602249) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
PubChem CID156602249
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
SMILESCCOCC(=O)N1CC2CC1CC2NC(=O)c1cccs1
InChIInChI=1S/C15H20N2O3S/c1-2-20-9-14(18)17-8-10-6-11(17)7-12(10)16-15(19)13-4-3-5-21-13/h3-5,10-12H,2,6-9H2,1H3,(H,16,19)
InChIKeyVPHCTYDSBDZDAU-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide (CID 156602249) is N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide is CCOCC(=O)N1CC2CC1CC2NC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
The InChIKey is VPHCTYDSBDZDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-20-9-14(18)17-8-10-6-11(17)7-12(10)16-15(19)13-4-3-5-21-13/h3-5,10-12H,2,6-9H2,1H3,(H,16,19).
What are the key properties of N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide?
N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyacetyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 156602249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).