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

C24H21F2N3O4S — CID 19450899

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

6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19450899) has the molecular formula C24H21F2N3O4S and a molecular weight of 485.51 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19450899
• Molecular Formula: C24H21F2N3O4S
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.12
• IUPAC Name: 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)o2)cc1C
• InChI: InChI=1S/C24H21F2N3O4S/c1-11-4-5-14(8-12(11)2)32-10-15-6-7-17(33-15)23(31)29-19-18-13(3)9-16(21(25)26)28-24(18)34-20(19)22(27)30/h4-9,21H,10H2,1-3H3,(H2,27,30)(H,29,31)
• InChIKey: NVSRQJPLSSWDII-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 107.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 19450899) is 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(C)c34)o2)cc1C.

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

The InChIKey is NVSRQJPLSSWDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O4S/c1-11-4-5-14(8-12(11)2)32-10-15-6-7-17(33-15)23(31)29-19-18-13(3)9-16(21(25)26)28-24(18)34-20(19)22(27)30/h4-9,21H,10H2,1-3H3,(H2,27,30)(H,29,31).

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

6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19450899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).