(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide

C20H24F3NO2S — CID 134949932

IUPAC(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H24F3NO2S/c1-14-10-12-15(13-11-14)17(24-27(26)18(2,3)4)19(25,20(21,22)23)16-8-6-5-7-9-16/h5-13,17,24-25H,1-4H3/t17-,19+,27+/m0/s1
InChIKeyBYGDXZUBGHGMRI-UFLBVARNSA-N
MW399.48 g/mol
LogP4.54
Rot. Bonds5

About (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide (PubChem CID 134949932) has the molecular formula C20H24F3NO2S and a molecular weight of 399.48 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide
PubChem CID134949932
Molecular FormulaC20H24F3NO2S
Molecular Weight399.48 g/mol
Exact Mass399.15
IUPAC Name(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide
SMILESCc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H24F3NO2S/c1-14-10-12-15(13-11-14)17(24-27(26)18(2,3)4)19(25,20(21,22)23)16-8-6-5-7-9-16/h5-13,17,24-25H,1-4H3/t17-,19+,27+/m0/s1
InChIKeyBYGDXZUBGHGMRI-UFLBVARNSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide (CID 134949932) is (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide is Cc1ccc([C@H](N[S@](=O)C(C)(C)C)[C@](O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide?
The InChIKey is BYGDXZUBGHGMRI-UFLBVARNSA-N. The full InChI is InChI=1S/C20H24F3NO2S/c1-14-10-12-15(13-11-14)17(24-27(26)18(2,3)4)19(25,20(21,22)23)16-8-6-5-7-9-16/h5-13,17,24-25H,1-4H3/t17-,19+,27+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide has a molecular weight of 399.48 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methylphenyl)-2-phenylpropyl]propane-2-sulfinamide is sourced from PubChem (CID 134949932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).