1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea

C21H24N2O3S — CID 22750821

IUPAC1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea
SMILESC/C(=C(/c1ccccc1)S(=O)(=O)NC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-16(17-10-4-2-5-11-17)20(18-12-6-3-7-13-18)27(25,26)23-21(24)22-19-14-8-9-15-19/h2-7,10-13,19H,8-9,14-15H2,1H3,(H2,22,23,24)/b20-16+
InChIKeyIRMIIOQENDOFNL-CAPFRKAQSA-N
MW384.50 g/mol
LogP4.15
Rot. Bonds5

About 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea

1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea (PubChem CID 22750821) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea
PubChem CID22750821
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea
SMILESC/C(=C(/c1ccccc1)S(=O)(=O)NC(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-16(17-10-4-2-5-11-17)20(18-12-6-3-7-13-18)27(25,26)23-21(24)22-19-14-8-9-15-19/h2-7,10-13,19H,8-9,14-15H2,1H3,(H2,22,23,24)/b20-16+
InChIKeyIRMIIOQENDOFNL-CAPFRKAQSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea?
The IUPAC name of 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea (CID 22750821) is 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea.
What is the SMILES notation for 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea?
The canonical SMILES for 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea is C/C(=C(/c1ccccc1)S(=O)(=O)NC(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea?
The InChIKey is IRMIIOQENDOFNL-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16(17-10-4-2-5-11-17)20(18-12-6-3-7-13-18)27(25,26)23-21(24)22-19-14-8-9-15-19/h2-7,10-13,19H,8-9,14-15H2,1H3,(H2,22,23,24)/b20-16+.
What are the key properties of 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea?
1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea has a molecular weight of 384.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(E)-1,2-diphenylprop-1-enyl]sulfonylurea is sourced from PubChem (CID 22750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).