N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

C25H24N2O3S — CID 41110024

About N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 41110024) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
• PubChem CID: 41110024
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
• SMILES: COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(OC(C)C)cc3)nc2c1
• InChI: InChI=1S/C25H24N2O3S/c1-17(2)30-20-11-9-19(10-12-20)24(28)27(16-18-7-5-4-6-8-18)25-26-22-15-21(29-3)13-14-23(22)31-25/h4-15,17H,16H2,1-3H3
• InChIKey: VCZPLLMATHWYPX-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The IUPAC name of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (CID 41110024) is N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The canonical SMILES for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is COc1ccc2sc(N(Cc3ccccc3)C(=O)c3ccc(OC(C)C)cc3)nc2c1.

What is the InChIKey of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The InChIKey is VCZPLLMATHWYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17(2)30-20-11-9-19(10-12-20)24(28)27(16-18-7-5-4-6-8-18)25-26-22-15-21(29-3)13-14-23(22)31-25/h4-15,17H,16H2,1-3H3.

What are the key properties of N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 41110024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).