2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide

C17H20N2O4S — CID 166186381

IUPAC2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NS(=O)(=O)c1cccc(COC)c1
InChIInChI=1S/C17H20N2O4S/c1-18-17(20)11-14-7-3-4-9-16(14)19-24(21,22)15-8-5-6-13(10-15)12-23-2/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyXGLPNCOSNAEVOA-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide

2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 166186381) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide
PubChem CID166186381
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NS(=O)(=O)c1cccc(COC)c1
InChIInChI=1S/C17H20N2O4S/c1-18-17(20)11-14-7-3-4-9-16(14)19-24(21,22)15-8-5-6-13(10-15)12-23-2/h3-10,19H,11-12H2,1-2H3,(H,18,20)
InChIKeyXGLPNCOSNAEVOA-UHFFFAOYSA-N
XLogP1.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide (CID 166186381) is 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NS(=O)(=O)c1cccc(COC)c1.
What is the InChIKey of 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is XGLPNCOSNAEVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18-17(20)11-14-7-3-4-9-16(14)19-24(21,22)15-8-5-6-13(10-15)12-23-2/h3-10,19H,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide?
2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 348.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(methoxymethyl)phenyl]sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 166186381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).