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

C17H23NOS — CID 2931645

IUPACN-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3,(H,18,19)
InChIKeyJKNITHLJMSSTEN-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.08
Rot. Bonds3

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

N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide (PubChem CID 2931645) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide
PubChem CID2931645
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3,(H,18,19)
InChIKeyJKNITHLJMSSTEN-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide (CID 2931645) is N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide?
The InChIKey is JKNITHLJMSSTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11(18-16(19)15-3-2-4-20-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide?
N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2931645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).