N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide

C17H19NO4S — CID 2147250

IUPACN-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)c(C)c1
InChIInChI=1S/C17H19NO4S/c1-12-8-9-16(14(3)10-12)23(20,21)18-17(19)11-22-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGAXUIGLPZMATCE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.50
Rot. Bonds5

About N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide

N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide (PubChem CID 2147250) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide
PubChem CID2147250
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)c(C)c1
InChIInChI=1S/C17H19NO4S/c1-12-8-9-16(14(3)10-12)23(20,21)18-17(19)11-22-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyGAXUIGLPZMATCE-UHFFFAOYSA-N
XLogP2.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide (CID 2147250) is N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide?
The InChIKey is GAXUIGLPZMATCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-12-8-9-16(14(3)10-12)23(20,21)18-17(19)11-22-15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide?
N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2147250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).