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

C27H24N2O2S — CID 16849781

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

N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16849781) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
• PubChem CID: 16849781
• Molecular Formula: C27H24N2O2S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.16
• IUPAC Name: N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
• SMILES: CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc4ccccc4c3)nc12
• InChI: InChI=1S/C27H24N2O2S/c1-18(2)23-10-5-11-24-26(23)28-27(32-24)29(17-22-9-6-14-31-22)25(30)16-19-12-13-20-7-3-4-8-21(20)15-19/h3-15,18H,16-17H2,1-2H3
• InChIKey: PGWPMDWKWXHMKL-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 16849781) is N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is CC(C)c1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc4ccccc4c3)nc12.

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

The InChIKey is PGWPMDWKWXHMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c1-18(2)23-10-5-11-24-26(23)28-27(32-24)29(17-22-9-6-14-31-22)25(30)16-19-12-13-20-7-3-4-8-21(20)15-19/h3-15,18H,16-17H2,1-2H3.

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

N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).