3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide

C22H26N2O3S2 — CID 96997911

IUPAC3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1
InChIInChI=1S/C22H26N2O3S2/c1-23(2)29(26,27)21-10-6-9-19(13-21)15-24(14-18-7-4-3-5-8-18)16-22(25)20-11-12-28-17-20/h3-13,17,22,25H,14-16H2,1-2H3/t22-/m0/s1
InChIKeySDDXZIYNIZVFET-QFIPXVFZSA-N
MW430.60 g/mol
LogP3.73
Rot. Bonds9

About 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide

3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 96997911) has the molecular formula C22H26N2O3S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID96997911
Molecular FormulaC22H26N2O3S2
Molecular Weight430.60 g/mol
Exact Mass430.14
IUPAC Name3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1
InChIInChI=1S/C22H26N2O3S2/c1-23(2)29(26,27)21-10-6-9-19(13-21)15-24(14-18-7-4-3-5-8-18)16-22(25)20-11-12-28-17-20/h3-13,17,22,25H,14-16H2,1-2H3/t22-/m0/s1
InChIKeySDDXZIYNIZVFET-QFIPXVFZSA-N
XLogP3.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
4-[2-(dibenzylamino)-1-hydroxyethyl]-N-methylbenzenesulfonamide
CID 70575937
3-(1-hydroxyethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528546
N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methyl-3-(methylamino)propanamide
CID 119821290
N-benzyl-3,5-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 71854734
(2S)-N-benzyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]-N-methylpropanamide
CID 94038343
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 111423094
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide
CID 2884140
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
[3-(dimethylsulfamoyl)phenyl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 2455455
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 96997911) is 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)c1.
What is the InChIKey of 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is SDDXZIYNIZVFET-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O3S2/c1-23(2)29(26,27)21-10-6-9-19(13-21)15-24(14-18-7-4-3-5-8-18)16-22(25)20-11-12-28-17-20/h3-13,17,22,25H,14-16H2,1-2H3/t22-/m0/s1.
What are the key properties of 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 430.60 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 96997911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).