N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H14F3N3O3S — CID 78958080

IUPACN-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNS(=O)(=O)CCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-4-6(14)13-2-1-3-17(11,15)16/h12H,1-5H2,(H,13,14)(H2,11,15,16)
InChIKeyVOPVGTGLWVRLPZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.07
Rot. Bonds7

About N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958080) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958080
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC NameN-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNS(=O)(=O)CCCNC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-4-6(14)13-2-1-3-17(11,15)16/h12H,1-5H2,(H,13,14)(H2,11,15,16)
InChIKeyVOPVGTGLWVRLPZ-UHFFFAOYSA-N
XLogP-1.07
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958080) is N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is NS(=O)(=O)CCCNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VOPVGTGLWVRLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c8-7(9,10)5-12-4-6(14)13-2-1-3-17(11,15)16/h12H,1-5H2,(H,13,14)(H2,11,15,16).
What are the key properties of N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 277.27 g/mol, XLogP of -1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).