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

C16H21NOS — CID 2805256

IUPACN-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21NOS/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18)
InChIKeyWRKJLJSHAQOMAK-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.58
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (PubChem CID 2805256) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)adamantane-1-carboxamide
PubChem CID2805256
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(thiophen-2-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21NOS/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18)
InChIKeyWRKJLJSHAQOMAK-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 52990919
N'-(2-thiophen-2-ylacetyl)adamantane-1-carbohydrazide
CID 2869572
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
2-(1-adamantyl)-N-(thiophen-2-ylmethyl)propanamide
CID 91580682
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926
N-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide
CID 31328827
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53350955
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethyl)adamantane-1-carboxamide (CID 2805256) is N-(thiophen-2-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is O=C(NCc1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
The InChIKey is WRKJLJSHAQOMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-15(17-10-14-2-1-3-19-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,17,18).
What are the key properties of N-(thiophen-2-ylmethyl)adamantane-1-carboxamide?
N-(thiophen-2-ylmethyl)adamantane-1-carboxamide has a molecular weight of 275.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 2805256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).