2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

C17H15F4NO2S — CID 71781980

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO2S/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23)
InChIKeyLIOIBIMUWTUZLT-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.48
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 71781980) has the molecular formula C17H15F4NO2S and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
PubChem CID71781980
Molecular FormulaC17H15F4NO2S
Molecular Weight373.37 g/mol
Exact Mass373.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO2S/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23)
InChIKeyLIOIBIMUWTUZLT-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
3-(benzenesulfonyl)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]propanamide
CID 95376514
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164309
2-(2-methoxyethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 119769290
2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (CID 71781980) is 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is O=C(CSc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is LIOIBIMUWTUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2S/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 3.48, 6 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-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is sourced from PubChem (CID 71781980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).