N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide

C7H15F2N3O3S — CID 167049419

IUPACN-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide
SMILESCCN(CCC(=O)NCC(F)F)S(N)(=O)=O
InChIInChI=1S/C7H15F2N3O3S/c1-2-12(16(10,14)15)4-3-7(13)11-5-6(8)9/h6H,2-5H2,1H3,(H,11,13)(H2,10,14,15)
InChIKeyZDXYUUJPRZMGEM-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.72
Rot. Bonds7

About N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide

N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide (PubChem CID 167049419) has the molecular formula C7H15F2N3O3S and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide
PubChem CID167049419
Molecular FormulaC7H15F2N3O3S
Molecular Weight259.28 g/mol
Exact Mass259.08
IUPAC NameN-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide
SMILESCCN(CCC(=O)NCC(F)F)S(N)(=O)=O
InChIInChI=1S/C7H15F2N3O3S/c1-2-12(16(10,14)15)4-3-7(13)11-5-6(8)9/h6H,2-5H2,1H3,(H,11,13)(H2,10,14,15)
InChIKeyZDXYUUJPRZMGEM-UHFFFAOYSA-N
XLogP-0.72
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24693658
3-[(2,2,2-Trifluoroacetyl)amino]propanamide
CID 57054787
3-[(2,2-Difluoroacetyl)amino]propanamide
CID 57293927
3-amino-N-(2,2-difluoroethyl)propanamide
CID 59383119
3-amino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61839471
N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
CID 63226327
3-amino-N-(3,3,3-trifluoropropyl)propanamide
CID 63226724
N-(3-acetamidopropyl)-2,2,2-trifluoroacetamide
CID 84366429
N'-(3,3,3-trifluoropropyl)propanediamide
CID 87615289
N'-(4,4,4-trifluorobutyl)propanediamide
CID 87831377
N-methyl-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
CID 87935493
2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
CID 89395670

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide (CID 167049419) is N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide is CCN(CCC(=O)NCC(F)F)S(N)(=O)=O.
What is the InChIKey of N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide?
The InChIKey is ZDXYUUJPRZMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O3S/c1-2-12(16(10,14)15)4-3-7(13)11-5-6(8)9/h6H,2-5H2,1H3,(H,11,13)(H2,10,14,15).
What are the key properties of N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide?
N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide has a molecular weight of 259.28 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-[ethyl(sulfamoyl)amino]propanamide is sourced from PubChem (CID 167049419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).