3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide

C16H14N2O5S2 — CID 55824756

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)s1
InChIInChI=1S/C16H14N2O5S2/c1-10-5-8-15(24-10)25(22,23)17-16(21)11-3-2-4-12(9-11)18-13(19)6-7-14(18)20/h2-5,8-9H,6-7H2,1H3,(H,17,21)
InChIKeyXIAICATZXUOMAZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.83
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide (PubChem CID 55824756) has the molecular formula C16H14N2O5S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide
PubChem CID55824756
Molecular FormulaC16H14N2O5S2
Molecular Weight378.43 g/mol
Exact Mass378.03
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)s1
InChIInChI=1S/C16H14N2O5S2/c1-10-5-8-15(24-10)25(22,23)17-16(21)11-3-2-4-12(9-11)18-13(19)6-7-14(18)20/h2-5,8-9H,6-7H2,1H3,(H,17,21)
InChIKeyXIAICATZXUOMAZ-UHFFFAOYSA-N
XLogP1.83
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide (CID 55824756) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)s1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The InChIKey is XIAICATZXUOMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S2/c1-10-5-8-15(24-10)25(22,23)17-16(21)11-3-2-4-12(9-11)18-13(19)6-7-14(18)20/h2-5,8-9H,6-7H2,1H3,(H,17,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methylthiophen-2-yl)sulfonylbenzamide is sourced from PubChem (CID 55824756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).