N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide

C17H23NOS — CID 4805600

IUPACN-(1-adamantylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c19-16(6-12-1-2-20-10-12)18-11-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,10,13-15H,3-9,11H2,(H,18,19)
InChIKeyBFIKPISDZLHDNA-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.62
Rot. Bonds4

About N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide

N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 4805600) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-thiophen-3-ylacetamide
PubChem CID4805600
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-(1-adamantylmethyl)-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23NOS/c19-16(6-12-1-2-20-10-12)18-11-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,10,13-15H,3-9,11H2,(H,18,19)
InChIKeyBFIKPISDZLHDNA-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

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Related Compounds

N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 5296322
N-(2-thienylmethyl)-1-adamantanecarboxamide
CID 2805256
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
[2-(1-Adamantylmethylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4881521
2,2-diphenyl-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
CID 44563525
2-adamantanyl-N-(2-thienylmethyl)acetamide
CID 4814336
Adamantane-1-carboxylic acid(4-methyl-thiophen-2-ylmethyl)-amide
CID 57577033
N-[1-(1-adamantyl)ethyl]thiophene-2-carboxamide
CID 2931645
N-[2-(adamantan-1-yl)ethyl]thiophene-2-carboxamide
CID 2918644
N-2-adamantyl-2-(2-thienyl)acetamide
CID 803464
Cambridge id 5772109
CID 2867603

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide (CID 4805600) is N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is BFIKPISDZLHDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c19-16(6-12-1-2-20-10-12)18-11-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,10,13-15H,3-9,11H2,(H,18,19).
What are the key properties of N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide?
N-(1-adamantylmethyl)-2-thiophen-3-ylacetamide 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-(1-adamantylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4805600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).