2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide

C19H22FNO2S — CID 52992685

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-24-17-9-7-16(20)8-10-17/h2-10,23H,11-14H2,1H3,(H,21,22)
InChIKeyWEVYFYSKLDQQKK-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.42
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide (PubChem CID 52992685) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
PubChem CID52992685
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H22FNO2S/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-24-17-9-7-16(20)8-10-17/h2-10,23H,11-14H2,1H3,(H,21,22)
InChIKeyWEVYFYSKLDQQKK-UHFFFAOYSA-N
XLogP3.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)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-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-[2-(4-fluorophenyl)ethyl]-2-(phenylthio)acetamide
CID 1122115
N-[2-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 2349242
N-(2-([1,1'-biphenyl]-4-yl)-2-hydroxypropyl)-2-((4-fluorophenyl)thio)acetamide
CID 71781824
3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774
2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-[(R)-2-methoxy-2-phenylbutyl](p-fluorophenylthio)acetamide
CID 97428592
N-[(S)-2-hydroxy-2-methyl-4-phenylbutyl](cyclopentylthio)acetamide
CID 97355114
N-[(S)-2-hydroxy-2-methyl-4-phenylbutyl](3-thienyl)acetamide
CID 99873830
N-[2-(4-fluorophenyl)ethyl]-3-(phenylsulfanyl)propanamide
CID 7342101
2-(benzylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781978

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide (CID 52992685) is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide is CC(O)(CCc1ccccc1)CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
The InChIKey is WEVYFYSKLDQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-19(23,12-11-15-5-3-2-4-6-15)14-21-18(22)13-24-17-9-7-16(20)8-10-17/h2-10,23H,11-14H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide is sourced from PubChem (CID 52992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).