2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

C11H16N2O3S — CID 846442

IUPAC2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-8-4-5-9(2)10(6-8)13(7-11(12)14)17(3,15)16/h4-6H,7H2,1-3H3,(H2,12,14)
InChIKeyQOTJQIKJFSDMKZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.55
Rot. Bonds4

About 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide

2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 846442) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID846442
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-8-4-5-9(2)10(6-8)13(7-11(12)14)17(3,15)16/h4-6H,7H2,1-3H3,(H2,12,14)
InChIKeyQOTJQIKJFSDMKZ-UHFFFAOYSA-N
XLogP0.55
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide (CID 846442) is 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is QOTJQIKJFSDMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-4-5-9(2)10(6-8)13(7-11(12)14)17(3,15)16/h4-6H,7H2,1-3H3,(H2,12,14).
What are the key properties of 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide?
2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 846442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).