3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide

C18H22N2O3S — CID 113138673

IUPAC3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-19(17-11-7-4-8-12-17)18(21)13-14-20(24(2,22)23)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyCBPVFBZLALLNQK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds7

About 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide

3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide (PubChem CID 113138673) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
PubChem CID113138673
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-19(17-11-7-4-8-12-17)18(21)13-14-20(24(2,22)23)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKeyCBPVFBZLALLNQK-UHFFFAOYSA-N
XLogP2.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
3-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-methyl-N-phenylpropanamide
CID 113140488
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
3-[cyclopentyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113137275
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-3-[2-methylpropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136884
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
ethyl 7-[methylsulfonyl-[[4-(2-phenylethyl)phenyl]methyl]amino]heptanoate
CID 54147844

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide (CID 113138673) is 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide is CN(C(=O)CCN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide?
The InChIKey is CBPVFBZLALLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-19(17-11-7-4-8-12-17)18(21)13-14-20(24(2,22)23)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3.
What are the key properties of 3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide?
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.50, 7 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-methyl-N-phenylpropanamide is sourced from PubChem (CID 113138673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).