N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide

C15H24N2O5S — CID 2204731

IUPACN-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1
InChIInChI=1S/C15H24N2O5S/c1-3-9-17-23(19,20)14-7-5-13(6-8-14)22-12-15(18)16-10-4-11-21-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,16,18)
InChIKeyQZANJOLADNJENG-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.91
Rot. Bonds11

About N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide

N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 2204731) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID2204731
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC NameN-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1
InChIInChI=1S/C15H24N2O5S/c1-3-9-17-23(19,20)14-7-5-13(6-8-14)22-12-15(18)16-10-4-11-21-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,16,18)
InChIKeyQZANJOLADNJENG-UHFFFAOYSA-N
XLogP0.91
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (CID 2204731) is N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCOC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is QZANJOLADNJENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-3-9-17-23(19,20)14-7-5-13(6-8-14)22-12-15(18)16-10-4-11-21-2/h5-8,17H,3-4,9-12H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 344.43 g/mol, XLogP of 0.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2204731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).