2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H14F3N3O3S — CID 71863239

IUPAC2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1ccnc1S(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O3S/c1-3-16-5-4-14-9(16)20(18,19)6-8(17)15(2)7-10(11,12)13/h4-5H,3,6-7H2,1-2H3
InChIKeyLYBLWLFPEYBTOM-UHFFFAOYSA-N
MW313.30 g/mol
LogP0.70
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71863239) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71863239
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC Name2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1ccnc1S(=O)(=O)CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O3S/c1-3-16-5-4-14-9(16)20(18,19)6-8(17)15(2)7-10(11,12)13/h4-5H,3,6-7H2,1-2H3
InChIKeyLYBLWLFPEYBTOM-UHFFFAOYSA-N
XLogP0.70
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71863239) is 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCn1ccnc1S(=O)(=O)CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYBLWLFPEYBTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c1-3-16-5-4-14-9(16)20(18,19)6-8(17)15(2)7-10(11,12)13/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 313.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71863239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).