N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide

C14H18N2O4S — CID 122160666

IUPACN-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCOCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H18N2O4S/c1-10-8-11(21-9-10)14(19)15-4-6-20-7-5-16-12(17)2-3-13(16)18/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyUGYPKVSINTZBKU-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.95
Rot. Bonds7

About N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide

N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 122160666) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide
PubChem CID122160666
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCOCCN2C(=O)CCC2=O)c1
InChIInChI=1S/C14H18N2O4S/c1-10-8-11(21-9-10)14(19)15-4-6-20-7-5-16-12(17)2-3-13(16)18/h8-9H,2-7H2,1H3,(H,15,19)
InChIKeyUGYPKVSINTZBKU-UHFFFAOYSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide (CID 122160666) is N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCOCCN2C(=O)CCC2=O)c1.
What is the InChIKey of N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is UGYPKVSINTZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-8-11(21-9-10)14(19)15-4-6-20-7-5-16-12(17)2-3-13(16)18/h8-9H,2-7H2,1H3,(H,15,19).
What are the key properties of N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide?
N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 122160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).