2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

C17H20N2O4S — CID 2302041

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(10-13)24(21,22)19(12-17(18)20)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,18,20)
InChIKeyVVTXIYUVERMFDW-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.68
Rot. Bonds7

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (PubChem CID 2302041) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
PubChem CID2302041
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(10-13)24(21,22)19(12-17(18)20)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,18,20)
InChIKeyVVTXIYUVERMFDW-UHFFFAOYSA-N
XLogP1.68
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide (CID 2302041) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VVTXIYUVERMFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-8-9-15(23-2)16(10-13)24(21,22)19(12-17(18)20)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H2,18,20).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 2302041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).