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'}

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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).