N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C23H18N2O4S — CID 18274142

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 18274142) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 18274142
• Molecular Formula: C23H18N2O4S
• Molecular Weight: 418.47 g/mol
• Exact Mass: 418.10
• IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
• SMILES: COCc1c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)oc2ccccc12
• InChI: InChI=1S/C23H18N2O4S/c1-27-13-16-15-6-2-4-8-18(15)29-21(16)22(26)24-12-14-10-11-19(28-14)23-25-17-7-3-5-9-20(17)30-23/h2-11H,12-13H2,1H3,(H,24,26)
• InChIKey: RBPABJRBMUKLMY-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 77.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.47
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 18274142) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)oc2ccccc12.

What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

The InChIKey is RBPABJRBMUKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-27-13-16-15-6-2-4-8-18(15)29-21(16)22(26)24-12-14-10-11-19(28-14)23-25-17-7-3-5-9-20(17)30-23/h2-11H,12-13H2,1H3,(H,24,26).

What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18274142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).