N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

C20H27NO2S — CID 26878730

IUPACN-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c22-17(18-2-1-7-24-18)3-4-19(23)21-6-5-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,23)
InChIKeySPDLPFXVBCKMEB-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.43
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 26878730) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID26878730
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27NO2S/c22-17(18-2-1-7-24-18)3-4-19(23)21-6-5-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,23)
InChIKeySPDLPFXVBCKMEB-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(1-adamantyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 35617769
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
4-oxo-4-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594248
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 120944233
[2-oxo-2-[2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]ethylamino]ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 16540287
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24655114
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108539714

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 26878730) is N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is SPDLPFXVBCKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c22-17(18-2-1-7-24-18)3-4-19(23)21-6-5-20-11-14-8-15(12-20)10-16(9-14)13-20/h1-2,7,14-16H,3-6,8-13H2,(H,21,23).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 345.51 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 26878730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).