2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide

C14H17N3O4S — CID 167431043

IUPAC2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
SMILESCC(=O)Nc1sccc1CC(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C14H17N3O4S/c1-8(18)15-14-9(5-6-22-14)7-12(20)17(2)10-3-4-11(19)16-13(10)21/h5-6,10H,3-4,7H2,1-2H3,(H,15,18)(H,16,19,21)
InChIKeyXQNYARBWRHLMCH-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.51
Rot. Bonds4

About 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide

2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide (PubChem CID 167431043) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
PubChem CID167431043
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
SMILESCC(=O)Nc1sccc1CC(=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C14H17N3O4S/c1-8(18)15-14-9(5-6-22-14)7-12(20)17(2)10-3-4-11(19)16-13(10)21/h5-6,10H,3-4,7H2,1-2H3,(H,15,18)(H,16,19,21)
InChIKeyXQNYARBWRHLMCH-UHFFFAOYSA-N
XLogP0.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-N-methylthiophene-3-carboxamide
CID 156408922
N-(2,6-dioxopiperidin-3-yl)-5-(ethenylamino)-4-propylthiophene-3-carboxamide
CID 156744916
N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
CID 156744972
3-[(5-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720392
3-[(4-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720792
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431022
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]pentanamide
CID 167431027
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]cyclopropanecarboxamide
CID 167431031
2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431032
2-(2-acetamido-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431036

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide (CID 167431043) is 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide is CC(=O)Nc1sccc1CC(=O)N(C)C1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide?
The InChIKey is XQNYARBWRHLMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-8(18)15-14-9(5-6-22-14)7-12(20)17(2)10-3-4-11(19)16-13(10)21/h5-6,10H,3-4,7H2,1-2H3,(H,15,18)(H,16,19,21).
What are the key properties of 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide?
2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide has a molecular weight of 323.37 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 167431043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).