2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide

C23H28N2O4S — CID 45181634

IUPAC2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)C(C)C
InChIInChI=1S/C23H28N2O4S/c1-17(2)24(11-12-29-3)20(26)14-23(18-8-5-4-6-9-18)15-21(27)25(22(23)28)16-19-10-7-13-30-19/h4-10,13,17H,11-12,14-16H2,1-3H3
InChIKeyHEFMFFKLJAVZLN-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.22
Rot. Bonds9

About 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide

2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide (PubChem CID 45181634) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
PubChem CID45181634
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide
SMILESCOCCN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)C(C)C
InChIInChI=1S/C23H28N2O4S/c1-17(2)24(11-12-29-3)20(26)14-23(18-8-5-4-6-9-18)15-21(27)25(22(23)28)16-19-10-7-13-30-19/h4-10,13,17H,11-12,14-16H2,1-3H3
InChIKeyHEFMFFKLJAVZLN-UHFFFAOYSA-N
XLogP3.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide (CID 45181634) is 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide is COCCN(C(=O)CC1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O)C(C)C.
What is the InChIKey of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
The InChIKey is HEFMFFKLJAVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-17(2)24(11-12-29-3)20(26)14-23(18-8-5-4-6-9-18)15-21(27)25(22(23)28)16-19-10-7-13-30-19/h4-10,13,17H,11-12,14-16H2,1-3H3.
What are the key properties of 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide?
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide has a molecular weight of 428.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 45181634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).