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

C17H22N2O5S — CID 648968

IUPAC2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H22N2O5S/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/h4-10,13,19H,3,11-12H2,1-2H3,(H,18,20)
InChIKeyZSGLWJRCCMEEPV-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.05
Rot. Bonds9

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

2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 648968) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID648968
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide
SMILESCCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H22N2O5S/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/h4-10,13,19H,3,11-12H2,1-2H3,(H,18,20)
InChIKeyZSGLWJRCCMEEPV-UHFFFAOYSA-N
XLogP2.05
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.05
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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide (CID 648968) is 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-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-(furan-2-ylmethyl)acetamide?
The InChIKey is ZSGLWJRCCMEEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/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/h4-10,13,19H,3,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide?
2-[4-(butan-2-ylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 2.05, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 648968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).