(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide

C24H38N4O5S — CID 46233812

IUPAC(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1
InChIInChI=1S/C24H38N4O5S/c29-24(9-8-22-10-13-25-14-11-22)26-12-4-1-5-21-34(30,31)28(23-6-2-3-7-23)33-20-17-27-15-18-32-19-16-27/h8-11,13-14,23H,1-7,12,15-21H2,(H,26,29)/b9-8+
InChIKeyDKHRHBOJFJUFPA-CMDGGOBGSA-N
MW494.66 g/mol
LogP2.22
Rot. Bonds14

About (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 46233812) has the molecular formula C24H38N4O5S and a molecular weight of 494.66 g/mol. Its IUPAC name is (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID46233812
Molecular FormulaC24H38N4O5S
Molecular Weight494.66 g/mol
Exact Mass494.26
IUPAC Name(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1
InChIInChI=1S/C24H38N4O5S/c29-24(9-8-22-10-13-25-14-11-22)26-12-4-1-5-21-34(30,31)28(23-6-2-3-7-23)33-20-17-27-15-18-32-19-16-27/h8-11,13-14,23H,1-7,12,15-21H2,(H,26,29)/b9-8+
InChIKeyDKHRHBOJFJUFPA-CMDGGOBGSA-N
XLogP2.22
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide 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 (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide (CID 46233812) is (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1.
What is the InChIKey of (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is DKHRHBOJFJUFPA-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H38N4O5S/c29-24(9-8-22-10-13-25-14-11-22)26-12-4-1-5-21-34(30,31)28(23-6-2-3-7-23)33-20-17-27-15-18-32-19-16-27/h8-11,13-14,23H,1-7,12,15-21H2,(H,26,29)/b9-8+.
What are the key properties of (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 494.66 g/mol, XLogP of 2.22, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 46233812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).