4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide

C18H20N2O5S2 — CID 126854085

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1ccsc1
InChIInChI=1S/C18H20N2O5S2/c1-18(23,10-13-8-9-26-11-13)12-19-27(24,25)15-4-2-14(3-5-15)20-16(21)6-7-17(20)22/h2-5,8-9,11,19,23H,6-7,10,12H2,1H3
InChIKeyKUMVJEAMOSTIII-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.67
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide (PubChem CID 126854085) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
PubChem CID126854085
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1ccsc1
InChIInChI=1S/C18H20N2O5S2/c1-18(23,10-13-8-9-26-11-13)12-19-27(24,25)15-4-2-14(3-5-15)20-16(21)6-7-17(20)22/h2-5,8-9,11,19,23H,6-7,10,12H2,1H3
InChIKeyKUMVJEAMOSTIII-UHFFFAOYSA-N
XLogP1.67
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
4-(2,5-dioxopyrrolidin-1-yl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)benzenesulfonamide
CID 126854037
N-tert-butyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 873017
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide
CID 129354958
N-[[4-(dimethylamino)phenyl]methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100541305
N-[2-(N,4-dimethylanilino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100540805
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 100539839
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide (CID 126854085) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)Cc1ccsc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide?
The InChIKey is KUMVJEAMOSTIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-18(23,10-13-8-9-26-11-13)12-19-27(24,25)15-4-2-14(3-5-15)20-16(21)6-7-17(20)22/h2-5,8-9,11,19,23H,6-7,10,12H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 126854085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).