3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide

C6H10F2N2O4S — CID 166180373

IUPAC3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O4S/c1-15(13,14)10-4(11)2-3-9-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyRLYLBHKSXBMAOB-UHFFFAOYSA-N
MW244.22 g/mol
LogP-1.17
Rot. Bonds5

About 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide

3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide (PubChem CID 166180373) has the molecular formula C6H10F2N2O4S and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide
PubChem CID166180373
Molecular FormulaC6H10F2N2O4S
Molecular Weight244.22 g/mol
Exact Mass244.03
IUPAC Name3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C6H10F2N2O4S/c1-15(13,14)10-4(11)2-3-9-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyRLYLBHKSXBMAOB-UHFFFAOYSA-N
XLogP-1.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(methylamino)-N-(trifluoromethylsulfonyl)propanamide
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N-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)propanamide
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N-[3-[ethylsulfonyl(methyl)amino]propyl]-3,3,3-trifluoropropanamide
CID 51082889
3,3,3-trifluoro-N-(2-sulfamoylethyl)propanamide
CID 61067180
3,3,3-trifluoro-N-(3-sulfamoylpropyl)propanamide
CID 61132147
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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide (CID 166180373) is 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCNC(=O)C(F)F.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide?
The InChIKey is RLYLBHKSXBMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O4S/c1-15(13,14)10-4(11)2-3-9-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide?
3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide has a molecular weight of 244.22 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]-N-methylsulfonylpropanamide is sourced from PubChem (CID 166180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).