N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide

C12H11F3N2O3S — CID 172831605

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C(F)(F)F)s1)C1CCC(=O)NC1=O
InChIInChI=1S/C12H11F3N2O3S/c1-6(18)17(7-2-4-9(19)16-11(7)20)10-5-3-8(21-10)12(13,14)15/h3,5,7H,2,4H2,1H3,(H,16,19,20)
InChIKeyVOVWSTQNBBBZRI-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.92
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide

N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide (PubChem CID 172831605) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
PubChem CID172831605
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C(F)(F)F)s1)C1CCC(=O)NC1=O
InChIInChI=1S/C12H11F3N2O3S/c1-6(18)17(7-2-4-9(19)16-11(7)20)10-5-3-8(21-10)12(13,14)15/h3,5,7H,2,4H2,1H3,(H,16,19,20)
InChIKeyVOVWSTQNBBBZRI-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431021
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 171788475
4-(2-Fluoroprop-2-enoyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
CID 176112066
4-(2-Fluoroacetyl)-1-(5-methylthiophen-2-yl)piperazin-2-one
CID 176557473
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate
CID 9458467
[2-Oxo-2-[[5-(trifluoromethyl)thiophen-2-yl]amino]ethyl] 4-methylpiperazine-1-carbodithioate
CID 9458468
4-(5-Methylthiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101439
1-(5-Methylthiophen-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101569
(2S)-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 166390844
(2S)-1-acetyl-N-[3-methyl-5-(trifluoromethyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 166390845
1-(5-Methylthiophen-2-yl)piperazin-2-one
CID 67085304
1-(5-Methylthiophen-2-yl)piperazin-2-one;hydrochloride
CID 67085313

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide (CID 172831605) is N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide is CC(=O)N(c1ccc(C(F)(F)F)s1)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide?
The InChIKey is VOVWSTQNBBBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-6(18)17(7-2-4-9(19)16-11(7)20)10-5-3-8(21-10)12(13,14)15/h3,5,7H,2,4H2,1H3,(H,16,19,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide?
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide has a molecular weight of 320.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 172831605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).