N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C26H24F2N2O3S — CID 2452849

About N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2452849) has the molecular formula C26H24F2N2O3S and a molecular weight of 482.55 g/mol. Its IUPAC name is N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 2452849
• Molecular Formula: C26H24F2N2O3S
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.15
• IUPAC Name: N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)ccc1OC(F)F
• InChI: InChI=1S/C26H24F2N2O3S/c1-16(2)19-10-7-11-22-23(19)29-26(34-22)30(15-17-8-5-4-6-9-17)24(31)18-12-13-20(33-25(27)28)21(14-18)32-3/h4-14,16,25H,15H2,1-3H3
• InChIKey: QTXJWACPHBYNAN-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 51.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 2452849) is N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is COc1cc(C(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)ccc1OC(F)F.

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

The InChIKey is QTXJWACPHBYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3S/c1-16(2)19-10-7-11-22-23(19)29-26(34-22)30(15-17-8-5-4-6-9-17)24(31)18-12-13-20(33-25(27)28)21(14-18)32-3/h4-14,16,25H,15H2,1-3H3.

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

N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 482.55 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2452849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).