4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide

C18H22FNO2S — CID 111478211

IUPAC4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H22FNO2S/c1-13(9-10-14-6-3-4-7-15(14)19)17(21)20-12-18(2,22)16-8-5-11-23-16/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyYLLDWGVOYPNYSS-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.48
Rot. Bonds7

About 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide

4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide (PubChem CID 111478211) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
PubChem CID111478211
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC Name4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
SMILESCC(CCc1ccccc1F)C(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C18H22FNO2S/c1-13(9-10-14-6-3-4-7-15(14)19)17(21)20-12-18(2,22)16-8-5-11-23-16/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyYLLDWGVOYPNYSS-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide 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-hydroxy-2-thiophen-2-ylpropyl)-2-methyl-4-phenoxybutanamide
CID 111519603
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 111483443
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenoxypropanamide
CID 121085799
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441782
1-[[2-(ethoxymethyl)phenyl]methyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440852

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide (CID 111478211) is 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide is CC(CCc1ccccc1F)C(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide?
The InChIKey is YLLDWGVOYPNYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-13(9-10-14-6-3-4-7-15(14)19)17(21)20-12-18(2,22)16-8-5-11-23-16/h3-8,11,13,22H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide?
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide has a molecular weight of 335.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide is sourced from PubChem (CID 111478211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).