N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide

C17H23NOS — CID 2918644

IUPACN-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C17H23NOS/c19-16(15-2-1-5-20-15)18-4-3-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19)
InChIKeyGSKKGCYGFQUTHM-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide

N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide (PubChem CID 2918644) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide
PubChem CID2918644
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccs1
InChIInChI=1S/C17H23NOS/c19-16(15-2-1-5-20-15)18-4-3-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-2,5,12-14H,3-4,6-11H2,(H,18,19)
InChIKeyGSKKGCYGFQUTHM-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide (CID 2918644) is N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cccs1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GSKKGCYGFQUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-16(15-2-1-5-20-15)18-4-3-17-9-12-6-13(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-(1-adamantyl)ethyl]thiophene-2-carboxamide?
N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2918644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).