5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide

C24H22F2N2O4S — CID 19452541

About 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide

5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide (PubChem CID 19452541) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
• PubChem CID: 19452541
• Molecular Formula: C24H22F2N2O4S
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.13
• IUPAC Name: 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
• SMILES: CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)o2)cc1
• InChI: InChI=1S/C24H22F2N2O4S/c1-24(2,3)14-4-6-15(7-5-14)30-13-17-9-11-19(31-17)21(29)28-23-27-18-10-8-16(32-22(25)26)12-20(18)33-23/h4-12,22H,13H2,1-3H3,(H,27,28,29)
• InChIKey: ZSSCMRIRMSGZRY-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide (CID 19452541) is 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)o2)cc1.

What is the InChIKey of 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

The InChIKey is ZSSCMRIRMSGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c1-24(2,3)14-4-6-15(7-5-14)30-13-17-9-11-19(31-17)21(29)28-23-27-18-10-8-16(32-22(25)26)12-20(18)33-23/h4-12,22H,13H2,1-3H3,(H,27,28,29).

What are the key properties of 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide?

5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 19452541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).