2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C17H26N2O5S — CID 2950312

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O5S/c1-3-13(2)19-25(21,22)16-8-6-14(7-9-16)24-12-17(20)18-11-15-5-4-10-23-15/h6-9,13,15,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyOUDNXTWITBCPIW-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.44
Rot. Bonds9

About 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2950312) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2950312
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O5S/c1-3-13(2)19-25(21,22)16-8-6-14(7-9-16)24-12-17(20)18-11-15-5-4-10-23-15/h6-9,13,15,19H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyOUDNXTWITBCPIW-UHFFFAOYSA-N
XLogP1.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 2950312) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OUDNXTWITBCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-3-13(2)19-25(21,22)16-8-6-14(7-9-16)24-12-17(20)18-11-15-5-4-10-23-15/h6-9,13,15,19H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2950312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).