N-(2-adamantyl)-2-thiophen-2-ylacetamide

C16H21NOS — CID 803464

IUPACN-(2-adamantyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21NOS/c18-15(9-14-2-1-3-19-14)17-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2,(H,17,18)
InChIKeyVWZVJQBPDWZJPV-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.23
Rot. Bonds3

About N-(2-adamantyl)-2-thiophen-2-ylacetamide

N-(2-adamantyl)-2-thiophen-2-ylacetamide (PubChem CID 803464) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-adamantyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-thiophen-2-ylacetamide
PubChem CID803464
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(2-adamantyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H21NOS/c18-15(9-14-2-1-3-19-14)17-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2,(H,17,18)
InChIKeyVWZVJQBPDWZJPV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-adamantyl)-2-thiophen-2-ylacetamide (CID 803464) is N-(2-adamantyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-adamantyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-adamantyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-thiophen-2-ylacetamide?
The InChIKey is VWZVJQBPDWZJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-15(9-14-2-1-3-19-14)17-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2,(H,17,18).
What are the key properties of N-(2-adamantyl)-2-thiophen-2-ylacetamide?
N-(2-adamantyl)-2-thiophen-2-ylacetamide has a molecular weight of 275.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).