1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C22H27N3O5S — CID 22583517

About 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 22583517) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 22583517
• Molecular Formula: C22H27N3O5S
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.17
• IUPAC Name: 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• SMILES: CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccco4)C3)ccc21
• InChI: InChI=1S/C22H27N3O5S/c1-16(26)25-11-3-5-17-13-20(8-9-21(17)25)31(28,29)24-10-2-6-18(15-24)22(27)23-14-19-7-4-12-30-19/h4,7-9,12-13,18H,2-3,5-6,10-11,14-15H2,1H3,(H,23,27)
• InChIKey: CMIZXMMCUXALFT-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 22583517) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(C(=O)NCc4ccco4)C3)ccc21.

What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is CMIZXMMCUXALFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16(26)25-11-3-5-17-13-20(8-9-21(17)25)31(28,29)24-10-2-6-18(15-24)22(27)23-14-19-7-4-12-30-19/h4,7-9,12-13,18H,2-3,5-6,10-11,14-15H2,1H3,(H,23,27).

What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 22583517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).