3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide

C19H23NO2S — CID 95316778

IUPAC3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(C[S@](=O)Cc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H23NO2S/c1-14-8-9-15(2)18(10-14)13-23(22)12-16-6-5-7-17(11-16)19(21)20(3)4/h5-11H,12-13H2,1-4H3/t23-/m1/s1
InChIKeyXRTVNKFAAVZOOU-HSZRJFAPSA-N
MW329.47 g/mol
LogP3.45
Rot. Bonds5

About 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide

3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide (PubChem CID 95316778) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide
PubChem CID95316778
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(C[S@](=O)Cc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C19H23NO2S/c1-14-8-9-15(2)18(10-14)13-23(22)12-16-6-5-7-17(11-16)19(21)20(3)4/h5-11H,12-13H2,1-4H3/t23-/m1/s1
InChIKeyXRTVNKFAAVZOOU-HSZRJFAPSA-N
XLogP3.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide 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

3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
CID 82179287
2-[(S)-(2,5-dimethylphenyl)methylsulfinyl]acetic acid
CID 94208367
2-[(2,5-dimethylphenyl)methylsulfinyl]acetic acid
CID 61481698
N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
CID 96548308
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
1-(3,4-dimethylphenyl)-2-[(3-methylphenyl)methylsulfinyl]ethanone
CID 64637394
3-[[2-(4-methylanilino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123098878
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylbenzamide
CID 62002753

Frequently Asked Questions

What is the IUPAC name of 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide (CID 95316778) is 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide is Cc1ccc(C)c(C[S@](=O)Cc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide?
The InChIKey is XRTVNKFAAVZOOU-HSZRJFAPSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-8-9-15(2)18(10-14)13-23(22)12-16-6-5-7-17(11-16)19(21)20(3)4/h5-11H,12-13H2,1-4H3/t23-/m1/s1.
What are the key properties of 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide?
3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide has a molecular weight of 329.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(R)-(2,5-dimethylphenyl)methylsulfinyl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 95316778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).