N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C17H19FN2O4S — CID 1296665

IUPACN-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12(2)20-25(22,23)16-8-6-15(7-9-16)24-11-17(21)19-14-5-3-4-13(18)10-14/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyFOKFDNNCDOXMCG-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.53
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1296665) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1296665
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12(2)20-25(22,23)16-8-6-15(7-9-16)24-11-17(21)19-14-5-3-4-13(18)10-14/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyFOKFDNNCDOXMCG-UHFFFAOYSA-N
XLogP2.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
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2-(2-fluorophenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1296665) is N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is FOKFDNNCDOXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12(2)20-25(22,23)16-8-6-15(7-9-16)24-11-17(21)19-14-5-3-4-13(18)10-14/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 366.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1296665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).