N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide

C14H14N4O4S — CID 167247839

IUPACN-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C#N)cc1C(=O)CNC1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O4S/c1-7(19)17-14-9(4-8(5-15)23-14)11(20)6-16-10-2-3-12(21)18-13(10)22/h4,10,16H,2-3,6H2,1H3,(H,17,19)(H,18,21,22)
InChIKeyHBIIFMUUCDANMR-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.16
Rot. Bonds5

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

N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide (PubChem CID 167247839) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
PubChem CID167247839
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C#N)cc1C(=O)CNC1CCC(=O)NC1=O
InChIInChI=1S/C14H14N4O4S/c1-7(19)17-14-9(4-8(5-15)23-14)11(20)6-16-10-2-3-12(21)18-13(10)22/h4,10,16H,2-3,6H2,1H3,(H,17,19)(H,18,21,22)
InChIKeyHBIIFMUUCDANMR-UHFFFAOYSA-N
XLogP0.16
TPSA128.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide 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

2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
2-[(1-Acetamido-1-oxopropan-2-yl)amino]-5-propan-2-ylthiophene-3-carboxamide
CID 70159876
4-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 139536275
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-phenylthiophene-3-carboxamide
CID 156408407
2-acetamido-5-cyano-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408473
2-(2,2-dimethylpropanoylamino)-N-(2,6-dioxopiperidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
CID 156408552
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
5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
CID 156745125
N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
CID 166155249
2-(2-acetamido-5-cyanothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431032
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
CID 168987750

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide (CID 167247839) is N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide is CC(=O)Nc1sc(C#N)cc1C(=O)CNC1CCC(=O)NC1=O.
What is the InChIKey of N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide?
The InChIKey is HBIIFMUUCDANMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-7(19)17-14-9(4-8(5-15)23-14)11(20)6-16-10-2-3-12(21)18-13(10)22/h4,10,16H,2-3,6H2,1H3,(H,17,19)(H,18,21,22).
What are the key properties of N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide?
N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide has a molecular weight of 334.36 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 167247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).