2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C17H26N2O5S — CID 3155635

IUPAC2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)19-25(21,22)15-8-6-13(7-9-15)24-12-16(20)18-11-14-5-4-10-23-14/h6-9,14,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyPGNKPXQYQQXEIN-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.44
Rot. Bonds7

About 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3155635) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3155635
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O5S/c1-17(2,3)19-25(21,22)15-8-6-13(7-9-15)24-12-16(20)18-11-14-5-4-10-23-14/h6-9,14,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyPGNKPXQYQQXEIN-UHFFFAOYSA-N
XLogP1.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 3155635) is 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PGNKPXQYQQXEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-17(2,3)19-25(21,22)15-8-6-13(7-9-15)24-12-16(20)18-11-14-5-4-10-23-14/h6-9,14,19H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3155635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).