N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide

C20H28N2O3S — CID 39116226

IUPACN-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
SMILESCc1cc(C)c(N(C[C@H](O)CNCc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H28N2O3S/c1-15-10-16(2)20(17(3)11-15)22(26(4,24)25)14-19(23)13-21-12-18-8-6-5-7-9-18/h5-11,19,21,23H,12-14H2,1-4H3/t19-/m1/s1
InChIKeyJWXFTGLMQJYGHR-LJQANCHMSA-N
MW376.52 g/mol
LogP2.53
Rot. Bonds8

About N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide

N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide (PubChem CID 39116226) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
PubChem CID39116226
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
SMILESCc1cc(C)c(N(C[C@H](O)CNCc2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H28N2O3S/c1-15-10-16(2)20(17(3)11-15)22(26(4,24)25)14-19(23)13-21-12-18-8-6-5-7-9-18/h5-11,19,21,23H,12-14H2,1-4H3/t19-/m1/s1
InChIKeyJWXFTGLMQJYGHR-LJQANCHMSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide 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

(2R)-2-[[(2R)-2-hydroxy-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propyl]amino]butanoic acid
CID 27371000
N-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 27371013
1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
(2R)-3-(benzylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 45270951
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
N-[3-(benzylamino)-2-hydroxypropyl]sulfamate
CID 171979162
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
benzyl N-[3-(benzylamino)-2-hydroxypropyl]-N-(2-methylpropyl)carbamate;hydrochloride
CID 173088993

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide (CID 39116226) is N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide is Cc1cc(C)c(N(C[C@H](O)CNCc2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
The InChIKey is JWXFTGLMQJYGHR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-15-10-16(2)20(17(3)11-15)22(26(4,24)25)14-19(23)13-21-12-18-8-6-5-7-9-18/h5-11,19,21,23H,12-14H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide?
N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(benzylamino)-2-hydroxypropyl]-N-(2,4,6-trimethylphenyl)methanesulfonamide is sourced from PubChem (CID 39116226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).