6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

C27H18F3N3O4S — CID 19413138

About 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide

6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19413138) has the molecular formula C27H18F3N3O4S and a molecular weight of 537.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19413138
• Molecular Formula: C27H18F3N3O4S
• Molecular Weight: 537.52 g/mol
• Exact Mass: 537.10
• IUPAC Name: 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2)o1
• InChI: InChI=1S/C27H18F3N3O4S/c28-15-6-8-16(9-7-15)36-13-17-10-11-20(37-17)26(35)33-22-21-18(14-4-2-1-3-5-14)12-19(24(29)30)32-27(21)38-23(22)25(31)34/h1-12,24H,13H2,(H2,31,34)(H,33,35)
• InChIKey: GFGBUBSISZRVPF-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 107.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.52
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 19413138) is 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)F)cc(-c3ccccc3)c2c1NC(=O)c1ccc(COc2ccc(F)cc2)o1.

What is the InChIKey of 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is GFGBUBSISZRVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O4S/c28-15-6-8-16(9-7-15)36-13-17-10-11-20(37-17)26(35)33-22-21-18(14-4-2-1-3-5-14)12-19(24(29)30)32-27(21)38-23(22)25(31)34/h1-12,24H,13H2,(H2,31,34)(H,33,35).

What are the key properties of 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide?

6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 537.52 g/mol, XLogP of 6.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-4-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19413138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).