2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N3O3S — CID 167885409

IUPAC2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C11H16F3N3O3S/c1-8(2)17(7-11(12,13)14)9(18)6-16-5-4-15-10(16)21(3,19)20/h4-5,8H,6-7H2,1-3H3
InChIKeyJRZXQBCBQGBWHJ-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.09
Rot. Bonds5

About 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167885409) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167885409
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC Name2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C11H16F3N3O3S/c1-8(2)17(7-11(12,13)14)9(18)6-16-5-4-15-10(16)21(3,19)20/h4-5,8H,6-7H2,1-3H3
InChIKeyJRZXQBCBQGBWHJ-UHFFFAOYSA-N
XLogP1.09
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 167885409) is 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)Cn1ccnc1S(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JRZXQBCBQGBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-8(2)17(7-11(12,13)14)9(18)6-16-5-4-15-10(16)21(3,19)20/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 327.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167885409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).