N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O3S — CID 166193384

IUPACN-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O3S/c1-7(2)4-18(6-11(12,13)14)9(19)5-22(20,21)10-15-8(3)16-17-10/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyNHMMGBSCUDWOGD-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.93
Rot. Bonds6

About N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide

N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 166193384) has the molecular formula C11H17F3N4O3S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID166193384
Molecular FormulaC11H17F3N4O3S
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC NameN-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O3S/c1-7(2)4-18(6-11(12,13)14)9(19)5-22(20,21)10-15-8(3)16-17-10/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyNHMMGBSCUDWOGD-UHFFFAOYSA-N
XLogP0.93
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 166193384) is N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)n[nH]1.
What is the InChIKey of N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NHMMGBSCUDWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O3S/c1-7(2)4-18(6-11(12,13)14)9(19)5-22(20,21)10-15-8(3)16-17-10/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 342.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 166193384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).