(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide

C26H42N4O4S — CID 70872495

IUPAC(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCC1
InChIInChI=1S/C26H42N4O4S/c31-25(11-10-24-9-7-15-27-23-24)28-16-5-1-2-6-17-29-35(32,33)26(12-3-4-13-26)14-8-18-30-19-21-34-22-20-30/h7,9-11,15,23,29H,1-6,8,12-14,16-22H2,(H,28,31)/b11-10+
InChIKeyUVEGNUHZSDQCFV-ZHACJKMWSA-N
MW506.71 g/mol
LogP3.12
Rot. Bonds15

About (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 70872495) has the molecular formula C26H42N4O4S and a molecular weight of 506.71 g/mol. Its IUPAC name is (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID70872495
Molecular FormulaC26H42N4O4S
Molecular Weight506.71 g/mol
Exact Mass506.29
IUPAC Name(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCC1
InChIInChI=1S/C26H42N4O4S/c31-25(11-10-24-9-7-15-27-23-24)28-16-5-1-2-6-17-29-35(32,33)26(12-3-4-13-26)14-8-18-30-19-21-34-22-20-30/h7,9-11,15,23,29H,1-6,8,12-14,16-22H2,(H,28,31)/b11-10+
InChIKeyUVEGNUHZSDQCFV-ZHACJKMWSA-N
XLogP3.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide (CID 70872495) is (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCCNS(=O)(=O)C1(CCCN2CCOCC2)CCCC1.
What is the InChIKey of (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is UVEGNUHZSDQCFV-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H42N4O4S/c31-25(11-10-24-9-7-15-27-23-24)28-16-5-1-2-6-17-29-35(32,33)26(12-3-4-13-26)14-8-18-30-19-21-34-22-20-30/h7,9-11,15,23,29H,1-6,8,12-14,16-22H2,(H,28,31)/b11-10+.
What are the key properties of (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 506.71 g/mol, XLogP of 3.12, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[[1-(3-morpholin-4-ylpropyl)cyclopentyl]sulfonylamino]hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 70872495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).