3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide

C19H24N2O4S — CID 2998438

IUPAC3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C19H24N2O4S/c1-15(22)16-7-5-8-17(13-16)26(23,24)20-14-18(19-9-6-12-25-19)21-10-3-2-4-11-21/h5-9,12-13,18,20H,2-4,10-11,14H2,1H3
InChIKeyGGZVLTBWJDMXDA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.99
Rot. Bonds7

About 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide

3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide (PubChem CID 2998438) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
PubChem CID2998438
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1
InChIInChI=1S/C19H24N2O4S/c1-15(22)16-7-5-8-17(13-16)26(23,24)20-14-18(19-9-6-12-25-19)21-10-3-2-4-11-21/h5-9,12-13,18,20H,2-4,10-11,14H2,1H3
InChIKeyGGZVLTBWJDMXDA-UHFFFAOYSA-N
XLogP2.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide (CID 2998438) is 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC(c2ccco2)N2CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide?
The InChIKey is GGZVLTBWJDMXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15(22)16-7-5-8-17(13-16)26(23,24)20-14-18(19-9-6-12-25-19)21-10-3-2-4-11-21/h5-9,12-13,18,20H,2-4,10-11,14H2,1H3.
What are the key properties of 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide?
3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 2998438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).