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

C14H14F3N3O4S — CID 167431021

IUPAC2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C(F)(F)F)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H14F3N3O4S/c1-6(21)18-13-7(4-9(25-13)14(15,16)17)5-11(23)19-8-2-3-10(22)20-12(8)24/h4,8H,2-3,5H2,1H3,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyYMAXGDURZYGYFD-UHFFFAOYSA-N
MW377.34 g/mol
LogP1.19
Rot. Bonds4

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

2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431021) has the molecular formula C14H14F3N3O4S and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431021
Molecular FormulaC14H14F3N3O4S
Molecular Weight377.34 g/mol
Exact Mass377.07
IUPAC Name2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C(F)(F)F)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H14F3N3O4S/c1-6(21)18-13-7(4-9(25-13)14(15,16)17)5-11(23)19-8-2-3-10(22)20-12(8)24/h4,8H,2-3,5H2,1H3,(H,18,21)(H,19,23)(H,20,22,24)
InChIKeyYMAXGDURZYGYFD-UHFFFAOYSA-N
XLogP1.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-acetamido-N-(6-methylidene-2-oxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156745068
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 171788475
N-(2,6-dioxopiperidin-3-yl)-N-[5-(trifluoromethyl)thiophen-2-yl]acetamide
CID 172831605
N-[5-ethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroacetamide
CID 39162773
(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
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408700
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
3-[(5-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720392
N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
CID 166155249
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431022

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431021) is 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1sc(C(F)(F)F)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is YMAXGDURZYGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O4S/c1-6(21)18-13-7(4-9(25-13)14(15,16)17)5-11(23)19-8-2-3-10(22)20-12(8)24/h4,8H,2-3,5H2,1H3,(H,18,21)(H,19,23)(H,20,22,24).
What are the key properties of 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 377.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamido-5-(trifluoromethyl)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).