2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide

C12H13N3O4S — CID 5310046

IUPAC2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H13N3O4S/c1-13-11(19)7-4-5-20-12(7)14-8(16)6-15-9(17)2-3-10(15)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,14,16)
InChIKeyRJLLQXUUWYWAFE-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.20
Rot. Bonds4

About 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide

2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 5310046) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID5310046
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H13N3O4S/c1-13-11(19)7-4-5-20-12(7)14-8(16)6-15-9(17)2-3-10(15)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,14,16)
InChIKeyRJLLQXUUWYWAFE-UHFFFAOYSA-N
XLogP0.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
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-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide (CID 5310046) is 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is RJLLQXUUWYWAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-13-11(19)7-4-5-20-12(7)14-8(16)6-15-9(17)2-3-10(15)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,14,16).
What are the key properties of 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide?
2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 5310046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).