2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C13H14ClN3O4S — CID 167431068

IUPAC2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1scc(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H14ClN3O4S/c1-6(18)15-13-7(8(14)5-22-13)4-11(20)16-9-2-3-10(19)17-12(9)21/h5,9H,2-4H2,1H3,(H,15,18)(H,16,20)(H,17,19,21)
InChIKeyXWYARIRCNAJMPD-UHFFFAOYSA-N
MW343.79 g/mol
LogP0.82
Rot. Bonds4

About 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431068) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431068
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1scc(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H14ClN3O4S/c1-6(18)15-13-7(8(14)5-22-13)4-11(20)16-9-2-3-10(19)17-12(9)21/h5,9H,2-4H2,1H3,(H,15,18)(H,16,20)(H,17,19,21)
InChIKeyXWYARIRCNAJMPD-UHFFFAOYSA-N
XLogP0.82
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 50.82
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-4-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408548
N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide
CID 156745075
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431020
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-[acetyl(methyl)amino]thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431038
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042
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
2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431053
2-(2-acetamido-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431057

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431068) is 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1scc(Cl)c1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is XWYARIRCNAJMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-6(18)15-13-7(8(14)5-22-13)4-11(20)16-9-2-3-10(19)17-12(9)21/h5,9H,2-4H2,1H3,(H,15,18)(H,16,20)(H,17,19,21).
What are the key properties of 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 343.79 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).