3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide

C15H24N2O3S — CID 113138656

IUPAC3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-16(5-2)15(18)11-12-17(21(3,19)20)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyUFASIFPJRIDJDB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.71
Rot. Bonds8

About 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide

3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide (PubChem CID 113138656) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
PubChem CID113138656
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-4-16(5-2)15(18)11-12-17(21(3,19)20)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyUFASIFPJRIDJDB-UHFFFAOYSA-N
XLogP1.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
ethyl 7-[methylsulfonyl-[[4-(2-phenylethyl)phenyl]methyl]amino]heptanoate
CID 54147844
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
N,N-diethyl-3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140279
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide (CID 113138656) is 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide?
The InChIKey is UFASIFPJRIDJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-16(5-2)15(18)11-12-17(21(3,19)20)13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide?
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide has a molecular weight of 312.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113138656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).