N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

C22H20N2O4S — CID 8718542

About N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 8718542) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 8718542
• Molecular Formula: C22H20N2O4S
• Molecular Weight: 408.48 g/mol
• Exact Mass: 408.11
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cc4ccccc4o3)sc2c1
• InChI: InChI=1S/C22H20N2O4S/c1-26-15-8-9-17-20(12-15)29-22(23-17)24(13-16-6-4-10-27-16)21(25)19-11-14-5-2-3-7-18(14)28-19/h2-3,5,7-9,11-12,16H,4,6,10,13H2,1H3/t16-/m1/s1
• InChIKey: XZZSDINNMYIITI-MRXNPFEDSA-N
• XLogP: 4.88
• TPSA: 64.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.48
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 8718542) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cc4ccccc4o3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is XZZSDINNMYIITI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-26-15-8-9-17-20(12-15)29-22(23-17)24(13-16-6-4-10-27-16)21(25)19-11-14-5-2-3-7-18(14)28-19/h2-3,5,7-9,11-12,16H,4,6,10,13H2,1H3/t16-/m1/s1.

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).