2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C14H14N4O4S — CID 167431032

IUPAC2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C#N)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O4S/c1-7(19)16-14-8(4-9(6-15)23-14)5-12(21)17-10-2-3-11(20)18-13(10)22/h4,10H,2-3,5H2,1H3,(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyBHBJRJSDWBLCGZ-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.04
Rot. Bonds4

About 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431032) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431032
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC Name2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(C#N)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O4S/c1-7(19)16-14-8(4-9(6-15)23-14)5-12(21)17-10-2-3-11(20)18-13(10)22/h4,10H,2-3,5H2,1H3,(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyBHBJRJSDWBLCGZ-UHFFFAOYSA-N
XLogP0.04
TPSA128.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408473
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
N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
CID 167247839
2-(2-acetamido-5-phenylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431022
2-(2-acetamido-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431036
2-[2-[acetyl(methyl)amino]thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431038
2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
CID 167431043
N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
CID 167431046
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
CID 167431062

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431032) is 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1sc(C#N)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is BHBJRJSDWBLCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-7(19)16-14-8(4-9(6-15)23-14)5-12(21)17-10-2-3-11(20)18-13(10)22/h4,10H,2-3,5H2,1H3,(H,16,19)(H,17,21)(H,18,20,22).
What are the key properties of 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 334.36 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).