N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

C24H20N2O5S — CID 52545467

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide (PubChem CID 52545467) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide.

Molecular Properties

• Compound Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
• PubChem CID: 52545467
• Molecular Formula: C24H20N2O5S
• Molecular Weight: 448.50 g/mol
• Exact Mass: 448.11
• IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
• SMILES: O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C24H20N2O5S/c27-18(15-5-8-19-21(13-15)30-12-11-29-19)7-10-23(28)25-14-16-6-9-20(31-16)24-26-17-3-1-2-4-22(17)32-24/h1-6,8-9,13H,7,10-12,14H2,(H,25,28)
• InChIKey: KSZXENWMHYAQSR-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.50
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide (CID 52545467) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide.

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

The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(-c2nc3ccccc3s2)o1.

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

The InChIKey is KSZXENWMHYAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c27-18(15-5-8-19-21(13-15)30-12-11-29-19)7-10-23(28)25-14-16-6-9-20(31-16)24-26-17-3-1-2-4-22(17)32-24/h1-6,8-9,13H,7,10-12,14H2,(H,25,28).

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

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide has a molecular weight of 448.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide is sourced from PubChem (CID 52545467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).