2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide

C18H22N2O4S — CID 1108138

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-6-5-7-14(2)18(13)20(25(4,22)23)12-17(21)19-15-8-10-16(24-3)11-9-15/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyYLRXWELMZMNEGF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.72
Rot. Bonds6

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide (PubChem CID 1108138) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
PubChem CID1108138
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-13-6-5-7-14(2)18(13)20(25(4,22)23)12-17(21)19-15-8-10-16(24-3)11-9-15/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyYLRXWELMZMNEGF-UHFFFAOYSA-N
XLogP2.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide (CID 1108138) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide?
The InChIKey is YLRXWELMZMNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-6-5-7-14(2)18(13)20(25(4,22)23)12-17(21)19-15-8-10-16(24-3)11-9-15/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1108138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).