(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide

C16H16FNO2S — CID 164683360

IUPAC(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
SMILESC[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16FNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyOSDVSILQMSZQAE-MRXNPFEDSA-N
MW305.37 g/mol
LogP3.31
Rot. Bonds5

About (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide

(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide (PubChem CID 164683360) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
PubChem CID164683360
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide
SMILESC[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16FNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyOSDVSILQMSZQAE-MRXNPFEDSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide 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-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 5240098
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 10572530
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3794816
3-(benzenesulfonyl)-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4678506
Tocris-0882
CID 6604772
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
3,3,3-trifluoro-N-[4-(3-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 10524485
3,3,3-Trifluoro-2-hydroxy-2-methyl-N-[3-(phenylsulfonyl)phenyl]propanamide
CID 10643071
N-[4-(2-Fluorophenylsulfonyl)phenyl]-3,3,3,-trifluoro-2-hydroxy-2-methyl propanamide
CID 10644163
N-[3-Fluoro-4-(phenylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2methylpropanamide
CID 10834289

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The IUPAC name of (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide (CID 164683360) is (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The canonical SMILES for (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide is C[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
The InChIKey is OSDVSILQMSZQAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-16(20,11-21-14-9-7-12(17)8-10-14)15(19)18-13-5-3-2-4-6-13/h2-10,20H,11H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide?
(2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide has a molecular weight of 305.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-phenylpropanamide is sourced from PubChem (CID 164683360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).