N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide

C13H16N2O3S — CID 71975315

IUPACN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H16N2O3S/c1-7(2)15-11(16)4-10(13(15)18)14-12(17)9-6-19-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,14,17)
InChIKeyCKIIKKSWBKKOHS-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.32
Rot. Bonds3

About N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide

N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide (PubChem CID 71975315) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide
PubChem CID71975315
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C13H16N2O3S/c1-7(2)15-11(16)4-10(13(15)18)14-12(17)9-6-19-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,14,17)
InChIKeyCKIIKKSWBKKOHS-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.32
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 N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide (CID 71975315) is N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC1CC(=O)N(C(C)C)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide?
The InChIKey is CKIIKKSWBKKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-7(2)15-11(16)4-10(13(15)18)14-12(17)9-6-19-5-8(9)3/h5-7,10H,4H2,1-3H3,(H,14,17).
What are the key properties of N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide?
N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 71975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).