N-benzyl-2-methyl-N-methylsulfonylpropanamide

C12H17NO3S — CID 124927817

IUPACN-benzyl-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-10(2)12(14)13(17(3,15)16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyUAQRFOLLAQWXET-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.63
Rot. Bonds4

About N-benzyl-2-methyl-N-methylsulfonylpropanamide

N-benzyl-2-methyl-N-methylsulfonylpropanamide (PubChem CID 124927817) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-methylsulfonylpropanamide
PubChem CID124927817
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-benzyl-2-methyl-N-methylsulfonylpropanamide
SMILESCC(C)C(=O)N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H17NO3S/c1-10(2)12(14)13(17(3,15)16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyUAQRFOLLAQWXET-UHFFFAOYSA-N
XLogP1.63
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-methyl-N-methylsulfonylpropanamide 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-benzyl-2-chloro-N-methylsulfonylacetamide
CID 83381162
2-(benzenesulfonyl)-N,N-dibenzylpropanamide
CID 112779733
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582885
2-[benzyl(ethyl)sulfamoyl]propanoic acid
CID 54947324
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 5105119
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946927
methyl 2-[benzyl(methyl)sulfamoyl]propanoate
CID 10038832

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-methylsulfonylpropanamide?
The IUPAC name of N-benzyl-2-methyl-N-methylsulfonylpropanamide (CID 124927817) is N-benzyl-2-methyl-N-methylsulfonylpropanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-methylsulfonylpropanamide?
The canonical SMILES for N-benzyl-2-methyl-N-methylsulfonylpropanamide is CC(C)C(=O)N(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-methyl-N-methylsulfonylpropanamide?
The InChIKey is UAQRFOLLAQWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10(2)12(14)13(17(3,15)16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-N-methylsulfonylpropanamide?
N-benzyl-2-methyl-N-methylsulfonylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 124927817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).