2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H15F3N2O3S — CID 61354870

IUPAC2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-6(2)17(15,16)13(3)4-7(14)12-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyRILIAVNKVSXMNR-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.33
Rot. Bonds5

About 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61354870) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61354870
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3S/c1-6(2)17(15,16)13(3)4-7(14)12-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyRILIAVNKVSXMNR-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61354870) is 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)S(=O)(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RILIAVNKVSXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-6(2)17(15,16)13(3)4-7(14)12-5-8(9,10)11/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61354870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).