(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

C21H29NO3S — CID 46845201

IUPAC(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@@H](Cc2ccccc2CCO)N[S@](=O)C(C)(C)C)cc1
InChIInChI=1S/C21H29NO3S/c1-21(2,3)26(24)22-20(17-9-11-19(25-4)12-10-17)15-18-8-6-5-7-16(18)13-14-23/h5-12,20,22-23H,13-15H2,1-4H3/t20-,26-/m1/s1
InChIKeyGTHPWKRGDFPYMO-FQRUVTKNSA-N
MW375.53 g/mol
LogP3.57
Rot. Bonds8

About (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 46845201) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID46845201
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC Name(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc([C@@H](Cc2ccccc2CCO)N[S@](=O)C(C)(C)C)cc1
InChIInChI=1S/C21H29NO3S/c1-21(2,3)26(24)22-20(17-9-11-19(25-4)12-10-17)15-18-8-6-5-7-16(18)13-14-23/h5-12,20,22-23H,13-15H2,1-4H3/t20-,26-/m1/s1
InChIKeyGTHPWKRGDFPYMO-FQRUVTKNSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-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

Related Compounds

N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
CID 140528978
N-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416899
(S)-N-[(1S,2S)-1-(4-methoxyphenyl)-2-phenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134941098
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
N-[(R)-(2-ditert-butylphosphanylphenyl)-(4-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 162393889
2-methyl-N-[(1S,2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxyphenyl)-2-phenylpropyl]propane-2-sulfinamide
CID 122214260
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
4-[[1-(4-methoxyphenyl)-2-phenylethyl]amino]butan-1-ol;hydrochloride
CID 54602354
(4-methoxyphenyl)methyl (2S,3R)-2-benzyl-3-(tert-butylsulfinylamino)pentanoate
CID 101209671
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 46845201) is (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is COc1ccc([C@@H](Cc2ccccc2CCO)N[S@](=O)C(C)(C)C)cc1.
What is the InChIKey of (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GTHPWKRGDFPYMO-FQRUVTKNSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-21(2,3)26(24)22-20(17-9-11-19(25-4)12-10-17)15-18-8-6-5-7-16(18)13-14-23/h5-12,20,22-23H,13-15H2,1-4H3/t20-,26-/m1/s1.
What are the key properties of (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 375.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 46845201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).