N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O3S — CID 78865570

IUPACN-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-4-13(6-8(9,10)11)7(14)5-12(2)17(3,15)16/h4-6H2,1-3H3
InChIKeyBBMFSTVFTSHRLI-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.29
Rot. Bonds5

About N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78865570) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78865570
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC NameN-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H15F3N2O3S/c1-4-13(6-8(9,10)11)7(14)5-12(2)17(3,15)16/h4-6H2,1-3H3
InChIKeyBBMFSTVFTSHRLI-UHFFFAOYSA-N
XLogP0.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[methyl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetamide
CID 75452067
N,N'-bis(2,2,2-trifluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
CID 20485408
N,N'-diethyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
CID 23337364
N,N'-bis(2-fluoroethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
CID 23337369
N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
CID 23337395
2,2,2-Trifluoro-1-[4-(methanesulfonyl)piperazin-1-yl]ethan-1-one
CID 57357273
1-[4-(Trifluoromethylsulfonyl)piperazin-1-yl]ethanone
CID 126758715
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 49070412
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
2-[chloromethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 63663907
N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584364
2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 64584365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 78865570) is N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BBMFSTVFTSHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-4-13(6-8(9,10)11)7(14)5-12(2)17(3,15)16/h4-6H2,1-3H3.
What are the key properties of N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl(methylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78865570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).