2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H26N2O4S — CID 113151199

IUPAC2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22(27(5,24)25)12-17-8-6-7-9-18(17)26-4/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyBJTICFSKHSIETC-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.02
Rot. Bonds7

About 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113151199) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113151199
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22(27(5,24)25)12-17-8-6-7-9-18(17)26-4/h6-11H,12-13H2,1-5H3,(H,21,23)
InChIKeyBJTICFSKHSIETC-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-tert-butyl-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151171
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
N-(4-acetylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151216
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151198
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113119796
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
N-[3-(2-methoxyphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100512988
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 100514614

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 113151199) is 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide is COc1ccccc1CN(CC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BJTICFSKHSIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-10-15(2)20(16(3)11-14)21-19(23)13-22(27(5,24)25)12-17-8-6-7-9-18(17)26-4/h6-11H,12-13H2,1-5H3,(H,21,23).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).