N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C24H24N2O2S — CID 16938973

About N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938973) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 16938973
• Molecular Formula: C24H24N2O2S
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• SMILES: Cc1ccc(C)c(C(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)c1
• InChI: InChI=1S/C24H24N2O2S/c1-15(2)19-8-5-9-21-22(19)25-24(29-21)26(14-18-7-6-12-28-18)23(27)20-13-16(3)10-11-17(20)4/h5-13,15H,14H2,1-4H3
• InChIKey: SUHOZNSECJSADQ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938973) is N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C)c(C(=O)N(Cc2ccco2)c2nc3c(C(C)C)cccc3s2)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is SUHOZNSECJSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-15(2)19-8-5-9-21-22(19)25-24(29-21)26(14-18-7-6-12-28-18)23(27)20-13-16(3)10-11-17(20)4/h5-13,15H,14H2,1-4H3.

What are the key properties of N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?

N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 404.54 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2,5-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).