(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide

C24H30N2O4S — CID 142240866

IUPAC(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide
SMILESC/C=C/CN(C1CCN(O)C1=O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.C/C=C\C
InChIInChI=1S/C20H22N2O4S.C4H8/c1-2-3-14-22(19-13-15-21(24)20(19)23)27(25,26)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-3-4-2/h2-12,19,24H,13-15H2,1H3;3-4H,1-2H3/b3-2+;4-3-
InChIKeyMINYHMYRYHMTSJ-NYJKFIDTSA-N
MW442.58 g/mol
LogP4.49
Rot. Bonds6

About (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide

(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide (PubChem CID 142240866) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide
PubChem CID142240866
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide
SMILESC/C=C/CN(C1CCN(O)C1=O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.C/C=C\C
InChIInChI=1S/C20H22N2O4S.C4H8/c1-2-3-14-22(19-13-15-21(24)20(19)23)27(25,26)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-3-4-2/h2-12,19,24H,13-15H2,1H3;3-4H,1-2H3/b3-2+;4-3-
InChIKeyMINYHMYRYHMTSJ-NYJKFIDTSA-N
XLogP4.49
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide (CID 142240866) is (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide is C/C=C/CN(C1CCN(O)C1=O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.C/C=C\C.
What is the InChIKey of (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide?
The InChIKey is MINYHMYRYHMTSJ-NYJKFIDTSA-N. The full InChI is InChI=1S/C20H22N2O4S.C4H8/c1-2-3-14-22(19-13-15-21(24)20(19)23)27(25,26)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-3-4-2/h2-12,19,24H,13-15H2,1H3;3-4H,1-2H3/b3-2+;4-3-.
What are the key properties of (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide?
(Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-[(E)-but-2-enyl]-N-(1-hydroxy-2-oxopyrrolidin-3-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 142240866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).