(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate

C15H12N2O6S2 — CID 86641213

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H12N2O6S2/c18-12-7-8-13(19)17(12)23-15(20)10-3-5-11(6-4-10)16-25(21,22)14-2-1-9-24-14/h1-6,9,16H,7-8H2
InChIKeyMVQLPRVQBOKGQM-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.77
Rot. Bonds5

About (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate

(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 86641213) has the molecular formula C15H12N2O6S2 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID86641213
Molecular FormulaC15H12N2O6S2
Molecular Weight380.40 g/mol
Exact Mass380.01
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(ON1C(=O)CCC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C15H12N2O6S2/c18-12-7-8-13(19)17(12)23-15(20)10-3-5-11(6-4-10)16-25(21,22)14-2-1-9-24-14/h1-6,9,16H,7-8H2
InChIKeyMVQLPRVQBOKGQM-UHFFFAOYSA-N
XLogP1.77
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2-oxooxolan-3-yl) 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3519185
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2642115
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
4-[2-[4-(thiophen-2-ylsulfonylamino)phenoxy]ethoxy]benzoic acid
CID 68690746
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97067701
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 24703518
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2347107
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2463276
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 55352238
N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate (CID 86641213) is (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate is O=C(ON1C(=O)CCC1=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is MVQLPRVQBOKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S2/c18-12-7-8-13(19)17(12)23-15(20)10-3-5-11(6-4-10)16-25(21,22)14-2-1-9-24-14/h1-6,9,16H,7-8H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate?
(2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 380.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 86641213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).