N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide

C17H23NOS — CID 5296322

IUPACN-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c19-16(18-4-3-15-2-1-5-20-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19)
InChIKeyAZMIFRWSNALHOG-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.62
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide

N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide (PubChem CID 5296322) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
PubChem CID5296322
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c19-16(18-4-3-15-2-1-5-20-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19)
InChIKeyAZMIFRWSNALHOG-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-(2-thienylmethyl)propanamide
CID 896861
N-(2-thienylmethyl)-1-adamantanecarboxamide
CID 2805256
N-methyl-N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 51186945
2-Adamantan-1-yl-N-methyl-N-thiophen-2-ylmethyl-acetamide
CID 57576905
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
N-methyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 57577004
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
N-(thiophen-2-ylmethyl)cyclohexanecarboxamide
CID 845077
2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 44563525
2-adamantanyl-N-(2-thienylmethyl)acetamide
CID 4814336
Adamantane-1-carboxylic acid methyl-(4-methyl-thiophen-2-ylmethyl)-amide
CID 57576914

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide (CID 5296322) is N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide is O=C(NCCc1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The InChIKey is AZMIFRWSNALHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-16(18-4-3-15-2-1-5-20-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19).
What are the key properties of N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide?
N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 5296322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).