1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C23H21N3O4S2 — CID 16582038

About 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 16582038) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
• PubChem CID: 16582038
• Molecular Formula: C23H21N3O4S2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.10
• IUPAC Name: 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
• SMILES: CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(-c4nc5ccccc5s4)o3)ccc21
• InChI: InChI=1S/C23H21N3O4S2/c1-15(27)26-12-4-5-16-13-18(9-10-20(16)26)32(28,29)24-14-17-8-11-21(30-17)23-25-19-6-2-3-7-22(19)31-23/h2-3,6-11,13,24H,4-5,12,14H2,1H3
• InChIKey: PFGUGNUMYINYJV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?

The IUPAC name of 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 16582038) is 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

What is the SMILES notation for 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?

The canonical SMILES for 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(-c4nc5ccccc5s4)o3)ccc21.

What is the InChIKey of 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?

The InChIKey is PFGUGNUMYINYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-15(27)26-12-4-5-16-13-18(9-10-20(16)26)32(28,29)24-14-17-8-11-21(30-17)23-25-19-6-2-3-7-22(19)31-23/h2-3,6-11,13,24H,4-5,12,14H2,1H3.

What are the key properties of 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?

1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 467.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 16582038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).