3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide

C18H22N2O4S2 — CID 71960960

IUPAC3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCC1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c21-17(9-8-16-6-3-13-24-16)19-11-10-15-5-1-2-12-20(15)26(22,23)18-7-4-14-25-18/h3-4,6-9,13-15H,1-2,5,10-12H2,(H,19,21)
InChIKeyGXGJBMXLTCQBMF-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.10
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide (PubChem CID 71960960) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide
PubChem CID71960960
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCC1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c21-17(9-8-16-6-3-13-24-16)19-11-10-15-5-1-2-12-20(15)26(22,23)18-7-4-14-25-18/h3-4,6-9,13-15H,1-2,5,10-12H2,(H,19,21)
InChIKeyGXGJBMXLTCQBMF-UHFFFAOYSA-N
XLogP3.10
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide (CID 71960960) is 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide is O=C(C=Cc1ccco1)NCCC1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide?
The InChIKey is GXGJBMXLTCQBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c21-17(9-8-16-6-3-13-24-16)19-11-10-15-5-1-2-12-20(15)26(22,23)18-7-4-14-25-18/h3-4,6-9,13-15H,1-2,5,10-12H2,(H,19,21).
What are the key properties of 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide has a molecular weight of 394.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71960960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).