2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C13H13Cl2N3O4S — CID 167431020

IUPAC2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(Cl)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H13Cl2N3O4S/c1-5(19)16-13-6(10(14)11(15)23-13)4-9(21)17-7-2-3-8(20)18-12(7)22/h7H,2-4H2,1H3,(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyAFYAMCROSQEVCC-UHFFFAOYSA-N
MW378.24 g/mol
LogP1.48
Rot. Bonds4

About 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431020) has the molecular formula C13H13Cl2N3O4S and a molecular weight of 378.24 g/mol. Its IUPAC name is 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431020
Molecular FormulaC13H13Cl2N3O4S
Molecular Weight378.24 g/mol
Exact Mass377.00
IUPAC Name2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESCC(=O)Nc1sc(Cl)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H13Cl2N3O4S/c1-5(19)16-13-6(10(14)11(15)23-13)4-9(21)17-7-2-3-8(20)18-12(7)22/h7H,2-4H2,1H3,(H,16,19)(H,17,21)(H,18,20,22)
InChIKeyAFYAMCROSQEVCC-UHFFFAOYSA-N
XLogP1.48
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 51.48
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-4,5-dichloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408917
2-[5-chloro-2-(methylamino)thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431014
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-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
2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431068
2-(2-acetamido-4-chloro-5-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431087

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431020) is 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is CC(=O)Nc1sc(Cl)c(Cl)c1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is AFYAMCROSQEVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O4S/c1-5(19)16-13-6(10(14)11(15)23-13)4-9(21)17-7-2-3-8(20)18-12(7)22/h7H,2-4H2,1H3,(H,16,19)(H,17,21)(H,18,20,22).
What are the key properties of 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 378.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4,5-dichlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).