2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide

C12H12Cl2N2O3S — CID 71863590

IUPAC2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide
SMILESCC(C)N1C(=O)CC(NC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O3S/c1-5(2)16-9(17)4-7(12(16)19)15-11(18)6-3-8(13)20-10(6)14/h3,5,7H,4H2,1-2H3,(H,15,18)
InChIKeyFRNHMBOHLRATDJ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.32
Rot. Bonds3

About 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide

2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide (PubChem CID 71863590) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide
PubChem CID71863590
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide
SMILESCC(C)N1C(=O)CC(NC(=O)c2cc(Cl)sc2Cl)C1=O
InChIInChI=1S/C12H12Cl2N2O3S/c1-5(2)16-9(17)4-7(12(16)19)15-11(18)6-3-8(13)20-10(6)14/h3,5,7H,4H2,1-2H3,(H,15,18)
InChIKeyFRNHMBOHLRATDJ-UHFFFAOYSA-N
XLogP2.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide (CID 71863590) is 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide is CC(C)N1C(=O)CC(NC(=O)c2cc(Cl)sc2Cl)C1=O.
What is the InChIKey of 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide?
The InChIKey is FRNHMBOHLRATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-5(2)16-9(17)4-7(12(16)19)15-11(18)6-3-8(13)20-10(6)14/h3,5,7H,4H2,1-2H3,(H,15,18).
What are the key properties of 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 71863590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).