2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

C23H22FNO2S — CID 71781824

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22FNO2S/c1-23(27,16-25-22(26)15-28-21-13-11-20(24)12-14-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,27H,15-16H2,1H3,(H,25,26)
InChIKeyCAWIQFUPXVNMGX-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.61
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (PubChem CID 71781824) has the molecular formula C23H22FNO2S and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
PubChem CID71781824
Molecular FormulaC23H22FNO2S
Molecular Weight395.50 g/mol
Exact Mass395.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide
SMILESCC(O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22FNO2S/c1-23(27,16-25-22(26)15-28-21-13-11-20(24)12-14-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,27H,15-16H2,1H3,(H,25,26)
InChIKeyCAWIQFUPXVNMGX-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide (CID 71781824) is 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide is CC(O)(CNC(=O)CSc1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
The InChIKey is CAWIQFUPXVNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2S/c1-23(27,16-25-22(26)15-28-21-13-11-20(24)12-14-21)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14,27H,15-16H2,1H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(4-phenylphenyl)propyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.61, 7 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-(4-phenylphenyl)propyl]acetamide is sourced from PubChem (CID 71781824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).