2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

C14H18N2O4S — CID 71810342

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCOC(CNC(=O)CN1C(=O)CCC1=O)c1ccc(C)s1
InChIInChI=1S/C14H18N2O4S/c1-9-3-4-11(21-9)10(20-2)7-15-12(17)8-16-13(18)5-6-14(16)19/h3-4,10H,5-8H2,1-2H3,(H,15,17)
InChIKeyLRUXYINACPFYOF-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.01
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 71810342) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID71810342
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCOC(CNC(=O)CN1C(=O)CCC1=O)c1ccc(C)s1
InChIInChI=1S/C14H18N2O4S/c1-9-3-4-11(21-9)10(20-2)7-15-12(17)8-16-13(18)5-6-14(16)19/h3-4,10H,5-8H2,1-2H3,(H,15,17)
InChIKeyLRUXYINACPFYOF-UHFFFAOYSA-N
XLogP1.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
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-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (CID 71810342) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is COC(CNC(=O)CN1C(=O)CCC1=O)c1ccc(C)s1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is LRUXYINACPFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-9-3-4-11(21-9)10(20-2)7-15-12(17)8-16-13(18)5-6-14(16)19/h3-4,10H,5-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 71810342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).