5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide

C14H17F3N2O2S — CID 24982119

IUPAC5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C14H17F3N2O2S/c1-9-4-5-11(22-9)13(21)18-7-12(20)19-6-2-3-10(8-19)14(15,16)17/h4-5,10H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyVKPHYKAHIISTHZ-UHFFFAOYSA-N
MW334.36 g/mol
LogP2.59
Rot. Bonds3

About 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 24982119) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID24982119
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C14H17F3N2O2S/c1-9-4-5-11(22-9)13(21)18-7-12(20)19-6-2-3-10(8-19)14(15,16)17/h4-5,10H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyVKPHYKAHIISTHZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide (CID 24982119) is 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is VKPHYKAHIISTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-9-4-5-11(22-9)13(21)18-7-12(20)19-6-2-3-10(8-19)14(15,16)17/h4-5,10H,2-3,6-8H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 334.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24982119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).