N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

C24H24N2O3S — CID 16939023

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16939023) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 16939023
• Molecular Formula: C24H24N2O3S
• Molecular Weight: 420.53 g/mol
• Exact Mass: 420.15
• IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
• SMILES: COc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)cc1
• InChI: InChI=1S/C24H24N2O3S/c1-16(2)20-7-4-8-21-23(20)25-24(30-21)26(15-19-6-5-13-29-19)22(27)14-17-9-11-18(28-3)12-10-17/h4-13,16H,14-15H2,1-3H3
• InChIKey: YBKVGZXBKMXOJN-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.53
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 16939023) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?

The InChIKey is YBKVGZXBKMXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-16(2)20-7-4-8-21-23(20)25-24(30-21)26(15-19-6-5-13-29-19)22(27)14-17-9-11-18(28-3)12-10-17/h4-13,16H,14-15H2,1-3H3.

What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16939023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).