2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

C11H12ClN3O3S — CID 167431053

IUPAC2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESNc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H12ClN3O3S/c12-7-3-5(10(13)19-7)4-9(17)14-6-1-2-8(16)15-11(6)18/h3,6H,1-2,4,13H2,(H,14,17)(H,15,16,18)
InChIKeyPSYBFUCHYBZKQR-UHFFFAOYSA-N
MW301.76 g/mol
LogP0.45
Rot. Bonds3

About 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide

2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (PubChem CID 167431053) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
PubChem CID167431053
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
SMILESNc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H12ClN3O3S/c12-7-3-5(10(13)19-7)4-9(17)14-6-1-2-8(16)15-11(6)18/h3,6H,1-2,4,13H2,(H,14,17)(H,15,16,18)
InChIKeyPSYBFUCHYBZKQR-UHFFFAOYSA-N
XLogP0.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 50.45
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-chloro-5,6-dihydro-4H-thieno[2,3-b]pyrrol-5-yl)-piperazin-1-ylmethanone
CID 70931368
2-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408779
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-aminothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431044
N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
CID 167431046
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
(2S)-N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]-2-hydroxypropanamide
CID 167431089
2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431092

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The IUPAC name of 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide (CID 167431053) is 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is Nc1sc(Cl)cc1CC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
The InChIKey is PSYBFUCHYBZKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-7-3-5(10(13)19-7)4-9(17)14-6-1-2-8(16)15-11(6)18/h3,6H,1-2,4,13H2,(H,14,17)(H,15,16,18).
What are the key properties of 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide?
2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide has a molecular weight of 301.76 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167431053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).