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

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Related Compounds

N-[(1S,4S,5S)-2-[2-(4-ethoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052842
N-[2-(1-methylindazole-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156601660
N-[(1S,4S,5S)-2-(isoquinoline-1-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052826
(1S,4S,5S)-N-(4-acetylphenyl)-5-(thiophene-2-carbonylamino)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 71836814
N-[2-(2,4-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 156602235
N-[(1S,4S,5S)-2-[2-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-carboxamide
CID 87052824
(2S,4S)-1-[2-[2-[(2S,4S)-2-carboxy-4-(thiophene-2-carbonylamino)pyrrolidin-1-yl]-2-oxoethoxy]acetyl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 11882367
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-(2-methoxycyclopentyl)thiophene-2-carboxamide
CID 64592899
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)thiophene-2-carboxamide
CID 113223630
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243

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).