2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

C16H17NO4S — CID 829872

IUPAC2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(19,20)17-16(18)11-21-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyHYBMRYFWYKYGLW-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.19
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide

2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 829872) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID829872
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)cc1
InChIInChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(19,20)17-16(18)11-21-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyHYBMRYFWYKYGLW-UHFFFAOYSA-N
XLogP2.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide (CID 829872) is 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is HYBMRYFWYKYGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12-7-9-14(10-8-12)22(19,20)17-16(18)11-21-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide?
2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 319.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 829872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).