2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

C17H18FNO2S — CID 71803787

IUPAC2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyJYUGGDMHXYUVJQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 71803787) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID71803787
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyJYUGGDMHXYUVJQ-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide 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-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 53549845
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 72002753
2-(4-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 72017191
N-[(2R)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 93032893
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
CID 135029447
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-2-phenylacetamide
CID 73021064

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 71803787) is 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(O)CNC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is JYUGGDMHXYUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-22-15-8-4-13(5-9-15)16(20)11-19-17(21)10-12-2-6-14(18)7-3-12/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 71803787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).