N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide

C18H23NO4S — CID 95368060

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO4S/c1-18(20,16-6-4-3-5-7-16)14-19-24(21,22)13-12-15-8-10-17(23-2)11-9-15/h3-11,19-20H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyILGIPKXXVQFQIR-SFHVURJKSA-N
MW349.45 g/mol
LogP2.06
Rot. Bonds8

About N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide (PubChem CID 95368060) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
PubChem CID95368060
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO4S/c1-18(20,16-6-4-3-5-7-16)14-19-24(21,22)13-12-15-8-10-17(23-2)11-9-15/h3-11,19-20H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyILGIPKXXVQFQIR-SFHVURJKSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide 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-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71781926
N-(2-hydroxy-2-phenylpropyl)-3-phenylpropane-1-sulfonamide
CID 110664059
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-(4-methoxyphenyl)ethanesulfonamide
CID 121016498
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
N-(2-hydroxy-2-phenylpropyl)-1-(4-methylphenyl)methanesulfonamide
CID 110664052
(2S)-1-[(4-methoxyphenyl)methylsulfonyl]-2-phenylpropan-2-ol
CID 1474364
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
3-cyano-N-(2-hydroxy-2-phenylpropyl)propane-1-sulfonamide
CID 71911317
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2-phenylethanesulfonamide
CID 90599231

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide (CID 95368060) is N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
The InChIKey is ILGIPKXXVQFQIR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-18(20,16-6-4-3-5-7-16)14-19-24(21,22)13-12-15-8-10-17(23-2)11-9-15/h3-11,19-20H,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 95368060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).