2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide

C20H29NO2S — CID 97139042

IUPAC2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](CO)Cc1cccs1
InChIInChI=1S/C20H29NO2S/c22-13-17(7-18-2-1-3-24-18)12-21-19(23)11-20-8-14-4-15(9-20)6-16(5-14)10-20/h1-3,14-17,22H,4-13H2,(H,21,23)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyWDXXYMHPHPVNJM-VQBCORBOSA-N
MW347.52 g/mol
LogP3.62
Rot. Bonds7

About 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide

2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide (PubChem CID 97139042) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
PubChem CID97139042
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](CO)Cc1cccs1
InChIInChI=1S/C20H29NO2S/c22-13-17(7-18-2-1-3-24-18)12-21-19(23)11-20-8-14-4-15(9-20)6-16(5-14)10-20/h1-3,14-17,22H,4-13H2,(H,21,23)/t14?,15?,16?,17-,20?/m1/s1
InChIKeyWDXXYMHPHPVNJM-VQBCORBOSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide (CID 97139042) is 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC[C@H](CO)Cc1cccs1.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide?
The InChIKey is WDXXYMHPHPVNJM-VQBCORBOSA-N. The full InChI is InChI=1S/C20H29NO2S/c22-13-17(7-18-2-1-3-24-18)12-21-19(23)11-20-8-14-4-15(9-20)6-16(5-14)10-20/h1-3,14-17,22H,4-13H2,(H,21,23)/t14?,15?,16?,17-,20?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide?
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide has a molecular weight of 347.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 97139042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).