N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide

C8H16F2N2O3S — CID 103515537

IUPACN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide
SMILESCCN(CCCNC(=O)C(F)F)S(C)(=O)=O
InChIInChI=1S/C8H16F2N2O3S/c1-3-12(16(2,14)15)6-4-5-11-8(13)7(9)10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyZKZWGABMGYBNTG-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.04
Rot. Bonds7

About N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide

N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide (PubChem CID 103515537) has the molecular formula C8H16F2N2O3S and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide
PubChem CID103515537
Molecular FormulaC8H16F2N2O3S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC NameN-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide
SMILESCCN(CCCNC(=O)C(F)F)S(C)(=O)=O
InChIInChI=1S/C8H16F2N2O3S/c1-3-12(16(2,14)15)6-4-5-11-8(13)7(9)10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyZKZWGABMGYBNTG-UHFFFAOYSA-N
XLogP0.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
Dimethyl-(3-sulfopropyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266435
Dimethyl-(sulfomethyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266835
3-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]propane-1-sulfonate
CID 140799704
3-[Dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 140799740
4-[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]butane-2-sulfonate
CID 140799766
[Dimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azaniumyl]methanesulfonate
CID 140799779
N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
CID 156248314
3-[dimethyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]azaniumyl]propane-1-sulfonate;1-fluoro-N,N-dimethylmethanamine
CID 160823634
2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 32230663
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide?
The IUPAC name of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide (CID 103515537) is N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide is CCN(CCCNC(=O)C(F)F)S(C)(=O)=O.
What is the InChIKey of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide?
The InChIKey is ZKZWGABMGYBNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3S/c1-3-12(16(2,14)15)6-4-5-11-8(13)7(9)10/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide?
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide has a molecular weight of 258.29 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103515537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).