3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide

C7H14F2N2O4S — CID 103211673

IUPAC3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCOCC(F)F
InChIInChI=1S/C7H14F2N2O4S/c8-6(9)5-15-3-1-7(12)11-2-4-16(10,13)14/h6H,1-5H2,(H,11,12)(H2,10,13,14)
InChIKeyXUEKSTDDIWHRBU-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.94
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide

3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide (PubChem CID 103211673) has the molecular formula C7H14F2N2O4S and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
PubChem CID103211673
Molecular FormulaC7H14F2N2O4S
Molecular Weight260.26 g/mol
Exact Mass260.06
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)CCOCC(F)F
InChIInChI=1S/C7H14F2N2O4S/c8-6(9)5-15-3-1-7(12)11-2-4-16(10,13)14/h6H,1-5H2,(H,11,12)(H2,10,13,14)
InChIKeyXUEKSTDDIWHRBU-UHFFFAOYSA-N
XLogP-0.94
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-3-(2,2-difluoroethoxy)propanamide
CID 103211869
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
N-(5-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 107320973
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
ethyl 4-[3-(2,2-difluoroethoxy)propanoylamino]butanoate
CID 103209827
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-(4-chloropentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106129994
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide (CID 103211673) is 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide?
The InChIKey is XUEKSTDDIWHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O4S/c8-6(9)5-15-3-1-7(12)11-2-4-16(10,13)14/h6H,1-5H2,(H,11,12)(H2,10,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide has a molecular weight of 260.26 g/mol, XLogP of -0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 103211673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).