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

C18H29N3O5S — CID 45372530

IUPACN-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O5S/c1-2-8-20-27(23,24)17-6-4-16(5-7-17)26-15-18(22)19-9-3-10-21-11-13-25-14-12-21/h4-7,20H,2-3,8-15H2,1H3,(H,19,22)
InChIKeyXTZKPUTYLYWOBJ-UHFFFAOYSA-N
MW399.51 g/mol
LogP0.59
Rot. Bonds11

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

N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (PubChem CID 45372530) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
PubChem CID45372530
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
SMILESCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O5S/c1-2-8-20-27(23,24)17-6-4-16(5-7-17)26-15-18(22)19-9-3-10-21-11-13-25-14-12-21/h4-7,20H,2-3,8-15H2,1H3,(H,19,22)
InChIKeyXTZKPUTYLYWOBJ-UHFFFAOYSA-N
XLogP0.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide (CID 45372530) is N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is CCCNS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
The InChIKey is XTZKPUTYLYWOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-2-8-20-27(23,24)17-6-4-16(5-7-17)26-15-18(22)19-9-3-10-21-11-13-25-14-12-21/h4-7,20H,2-3,8-15H2,1H3,(H,19,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide?
N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide has a molecular weight of 399.51 g/mol, XLogP of 0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 45372530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).