(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide

C18H27N3O4S — CID 46233815

IUPAC(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCCCCS(=O)(=O)C1CNCCO1
InChIInChI=1S/C18H27N3O4S/c22-17(6-5-16-7-10-19-11-8-16)21-9-3-1-2-4-14-26(23,24)18-15-20-12-13-25-18/h5-8,10-11,18,20H,1-4,9,12-15H2,(H,21,22)/b6-5+
InChIKeyILATYSVCXWGENE-AATRIKPKSA-N
MW381.50 g/mol
LogP1.13
Rot. Bonds10

About (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 46233815) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID46233815
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccncc1)NCCCCCCS(=O)(=O)C1CNCCO1
InChIInChI=1S/C18H27N3O4S/c22-17(6-5-16-7-10-19-11-8-16)21-9-3-1-2-4-14-26(23,24)18-15-20-12-13-25-18/h5-8,10-11,18,20H,1-4,9,12-15H2,(H,21,22)/b6-5+
InChIKeyILATYSVCXWGENE-AATRIKPKSA-N
XLogP1.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.13
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-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide (CID 46233815) is (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide is O=C(/C=C/c1ccncc1)NCCCCCCS(=O)(=O)C1CNCCO1.
What is the InChIKey of (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is ILATYSVCXWGENE-AATRIKPKSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-17(6-5-16-7-10-19-11-8-16)21-9-3-1-2-4-14-26(23,24)18-15-20-12-13-25-18/h5-8,10-11,18,20H,1-4,9,12-15H2,(H,21,22)/b6-5+.
What are the key properties of (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 381.50 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-morpholin-2-ylsulfonylhexyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 46233815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).