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

C28H23F2N3O4S2 — CID 19452817

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

6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19452817) has the molecular formula C28H23F2N3O4S2 and a molecular weight of 567.64 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19452817
• Molecular Formula: C28H23F2N3O4S2
• Molecular Weight: 567.64 g/mol
• Exact Mass: 567.11
• IUPAC Name: 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(C)c(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccc(C)s5)c34)o2)c1
• InChI: InChI=1S/C28H23F2N3O4S2/c1-13-4-5-14(2)20(10-13)36-12-16-7-8-19(37-16)27(35)33-23-22-17(21-9-6-15(3)38-21)11-18(25(29)30)32-28(22)39-24(23)26(31)34/h4-11,25H,12H2,1-3H3,(H2,31,34)(H,33,35)
• InChIKey: QBVXDUMEUQUPFM-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 107.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.64
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19452817) is 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)Nc3c(C(N)=O)sc4nc(C(F)F)cc(-c5ccc(C)s5)c34)o2)c1.

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

The InChIKey is QBVXDUMEUQUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N3O4S2/c1-13-4-5-14(2)20(10-13)36-12-16-7-8-19(37-16)27(35)33-23-22-17(21-9-6-15(3)38-21)11-18(25(29)30)32-28(22)39-24(23)26(31)34/h4-11,25H,12H2,1-3H3,(H2,31,34)(H,33,35).

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

6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 567.64 g/mol, XLogP of 7.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19452817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).