2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide

C15H22F2N2O3S — CID 47077896

IUPAC2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCCCCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H22F2N2O3S/c1-3-5-10-19(4-2)11-14(20)18-12-8-6-7-9-13(12)23(21,22)15(16)17/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyKGEKDAJVEWUMLG-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.74
Rot. Bonds9

About 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide

2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 47077896) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID47077896
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
SMILESCCCCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C15H22F2N2O3S/c1-3-5-10-19(4-2)11-14(20)18-12-8-6-7-9-13(12)23(21,22)15(16)17/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20)
InChIKeyKGEKDAJVEWUMLG-UHFFFAOYSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfonyl)phenyl]-2-(ethylamino)acetamide
CID 60703571
N-[2-(difluoromethylsulfonyl)phenyl]-2-(methylamino)acetamide
CID 43232974
2-[[2-[2-(difluoromethylsulfonyl)anilino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912795
3-[2-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 55049071
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
N-[2-(difluoromethylsulfonyl)phenyl]-2-propan-2-yloxyacetamide
CID 115593870
2-[benzyl(ethyl)amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8564163
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 115669636
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide (CID 47077896) is 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is CCCCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is KGEKDAJVEWUMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-3-5-10-19(4-2)11-14(20)18-12-8-6-7-9-13(12)23(21,22)15(16)17/h6-9,15H,3-5,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide?
2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 47077896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).