4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide

C13H12N4O4S — CID 139536275

IUPAC4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1C#N
InChIInChI=1S/C13H12N4O4S/c1-6(18)15-11-7(5-22-9(11)4-14)12(20)16-8-2-3-10(19)17-13(8)21/h5,8H,2-3H2,1H3,(H,15,18)(H,16,20)(H,17,19,21)
InChIKeyALOMJHTXYTWIIE-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.11
Rot. Bonds3

About 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide

4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide (PubChem CID 139536275) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
PubChem CID139536275
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1C#N
InChIInChI=1S/C13H12N4O4S/c1-6(18)15-11-7(5-22-9(11)4-14)12(20)16-8-2-3-10(19)17-13(8)21/h5,8H,2-3H2,1H3,(H,15,18)(H,16,20)(H,17,19,21)
InChIKeyALOMJHTXYTWIIE-UHFFFAOYSA-N
XLogP0.11
TPSA128.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-N-propyl-3-[[(2RS)-2-(propylamino)propanoyl]amino]thiophene-2-carboxamide Hydrochloride (Articaine Acid Propionamide Hydrochloride)
CID 129318500
N-(2,6-dioxopiperidin-3-yl)-4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxamide
CID 156408690
Articaine acid propionamide
CID 129318501
[3-Acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methylcarbamic acid
CID 139536216
3-[7-(Aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione
CID 139550581
tert-butyl N-[[3-acetamido-4-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]methyl]carbamate
CID 150945150
2-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408473
3-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 156408681
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
CID 167247839
3-[[2-(4,4-dimethylpiperidin-1-yl)acetyl]amino]-N,4-dimethylthiophene-2-carboxamide
CID 176328922
tert-butyl N-methyl-N-[2-[[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carbonyl]amino]ethyl]carbamate
CID 176328976

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide (CID 139536275) is 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide is CC(=O)Nc1c(C(=O)NC2CCC(=O)NC2=O)csc1C#N.
What is the InChIKey of 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
The InChIKey is ALOMJHTXYTWIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-6(18)15-11-7(5-22-9(11)4-14)12(20)16-8-2-3-10(19)17-13(8)21/h5,8H,2-3H2,1H3,(H,15,18)(H,16,20)(H,17,19,21).
What are the key properties of 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide?
4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide has a molecular weight of 320.33 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 139536275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).