N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C27H19F3N2O2S — CID 121055053

About N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 121055053) has the molecular formula C27H19F3N2O2S and a molecular weight of 492.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 121055053
• Molecular Formula: C27H19F3N2O2S
• Molecular Weight: 492.52 g/mol
• Exact Mass: 492.11
• IUPAC Name: N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccco1)c1nc2c(C(F)(F)F)cccc2s1
• InChI: InChI=1S/C27H19F3N2O2S/c28-27(29,30)22-9-4-10-23-25(22)31-26(35-23)32(17-21-8-5-15-34-21)24(33)16-18-11-13-20(14-12-18)19-6-2-1-3-7-19/h1-15H,16-17H2
• InChIKey: XIPAWWCSULMZNW-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.52
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 121055053) is N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)N(Cc1ccco1)c1nc2c(C(F)(F)F)cccc2s1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is XIPAWWCSULMZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O2S/c28-27(29,30)22-9-4-10-23-25(22)31-26(35-23)32(17-21-8-5-15-34-21)24(33)16-18-11-13-20(14-12-18)19-6-2-1-3-7-19/h1-15H,16-17H2.

What are the key properties of N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?

N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 492.52 g/mol, XLogP of 7.35, 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-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 121055053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).