N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide

C16H20N2O3S — CID 71851304

IUPACN-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)CC(=O)N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C16H20N2O3S/c1-16(11-6-7-22-10-11)8-14(20)18(15(16)21)9-13(19)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyRXIQSELKGADXGD-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.82
Rot. Bonds4

About N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 71851304) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID71851304
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)CC(=O)N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C16H20N2O3S/c1-16(11-6-7-22-10-11)8-14(20)18(15(16)21)9-13(19)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyRXIQSELKGADXGD-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.82
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-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 71851304) is N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide is CC1(c2ccsc2)CC(=O)N(CC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is RXIQSELKGADXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(11-6-7-22-10-11)8-14(20)18(15(16)21)9-13(19)17-12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 320.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methyl-2,5-dioxo-3-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71851304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).