N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C19H24N2O3S — CID 113151862

IUPACN-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(25(3,23)24)13-12-17-10-5-4-6-11-17/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyGNNSDNHCIOBTIJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 113151862) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID113151862
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(25(3,23)24)13-12-17-10-5-4-6-11-17/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyGNNSDNHCIOBTIJ-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]-N-(2-methylphenyl)acetamide
CID 113152301
2-[methylsulfonyl(2-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 21373045
N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7354164
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 113151862) is N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is GNNSDNHCIOBTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(25(3,23)24)13-12-17-10-5-4-6-11-17/h4-11H,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 113151862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).