N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide

C20H43N3O5S — CID 87270490

IUPACN-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide
SMILESCCCCCCNS(=O)(=O)CCCCNCCOCCOCC(=O)NCCCC
InChIInChI=1S/C20H43N3O5S/c1-3-5-7-8-13-23-29(25,26)18-10-9-11-21-14-15-27-16-17-28-19-20(24)22-12-6-4-2/h21,23H,3-19H2,1-2H3,(H,22,24)
InChIKeyYWAHAMXTWABMOF-UHFFFAOYSA-N
MW437.65 g/mol
LogP1.81
Rot. Bonds22

About N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide

N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide (PubChem CID 87270490) has the molecular formula C20H43N3O5S and a molecular weight of 437.65 g/mol. Its IUPAC name is N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide
PubChem CID87270490
Molecular FormulaC20H43N3O5S
Molecular Weight437.65 g/mol
Exact Mass437.29
IUPAC NameN-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide
SMILESCCCCCCNS(=O)(=O)CCCCNCCOCCOCC(=O)NCCCC
InChIInChI=1S/C20H43N3O5S/c1-3-5-7-8-13-23-29(25,26)18-10-9-11-21-14-15-27-16-17-28-19-20(24)22-12-6-4-2/h21,23H,3-19H2,1-2H3,(H,22,24)
InChIKeyYWAHAMXTWABMOF-UHFFFAOYSA-N
XLogP1.81
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.65
LogP ≤ 51.81
H-Bond Donors ≤ 53
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-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide (CID 87270490) is N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide is CCCCCCNS(=O)(=O)CCCCNCCOCCOCC(=O)NCCCC.
What is the InChIKey of N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide?
The InChIKey is YWAHAMXTWABMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N3O5S/c1-3-5-7-8-13-23-29(25,26)18-10-9-11-21-14-15-27-16-17-28-19-20(24)22-12-6-4-2/h21,23H,3-19H2,1-2H3,(H,22,24).
What are the key properties of N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide?
N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide has a molecular weight of 437.65 g/mol, XLogP of 1.81, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-[4-(hexylsulfamoyl)butylamino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 87270490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).