3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide

C19H24N4O4S — CID 71961365

IUPAC3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O4S/c24-19(8-7-17-5-3-15-27-17)21-10-4-16-28(25,26)23-13-11-22(12-14-23)18-6-1-2-9-20-18/h1-3,5-9,15H,4,10-14,16H2,(H,21,24)
InChIKeyBUQWKABWSURWNU-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.35
Rot. Bonds8

About 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide

3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide (PubChem CID 71961365) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide
PubChem CID71961365
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O4S/c24-19(8-7-17-5-3-15-27-17)21-10-4-16-28(25,26)23-13-11-22(12-14-23)18-6-1-2-9-20-18/h1-3,5-9,15H,4,10-14,16H2,(H,21,24)
InChIKeyBUQWKABWSURWNU-UHFFFAOYSA-N
XLogP1.35
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
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 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide (CID 71961365) is 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide is O=C(C=Cc1ccco1)NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide?
The InChIKey is BUQWKABWSURWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-19(8-7-17-5-3-15-27-17)21-10-4-16-28(25,26)23-13-11-22(12-14-23)18-6-1-2-9-20-18/h1-3,5-9,15H,4,10-14,16H2,(H,21,24).
What are the key properties of 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide?
3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide has a molecular weight of 404.49 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]prop-2-enamide is sourced from PubChem (CID 71961365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).