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

C26H17Cl2F2N3O4S2 — CID 19415856

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

3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19415856) has the molecular formula C26H17Cl2F2N3O4S2 and a molecular weight of 608.48 g/mol. Its IUPAC name is 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19415856
• Molecular Formula: C26H17Cl2F2N3O4S2
• Molecular Weight: 608.48 g/mol
• Exact Mass: 607.00
• IUPAC Name: 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(COc5cccc(Cl)c5Cl)o4)c23)s1
• InChI: InChI=1S/C26H17Cl2F2N3O4S2/c1-11-5-8-18(38-11)13-9-15(23(29)30)32-26-19(13)21(22(39-26)24(31)34)33-25(35)17-7-6-12(37-17)10-36-16-4-2-3-14(27)20(16)28/h2-9,23H,10H2,1H3,(H2,31,34)(H,33,35)
• InChIKey: BVTXFOHURXVJMD-UHFFFAOYSA-N
• XLogP: 8.10
• 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	608.48
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 19415856) is 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(-c2cc(C(F)F)nc3sc(C(N)=O)c(NC(=O)c4ccc(COc5cccc(Cl)c5Cl)o4)c23)s1.

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

The InChIKey is BVTXFOHURXVJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2F2N3O4S2/c1-11-5-8-18(38-11)13-9-15(23(29)30)32-26-19(13)21(22(39-26)24(31)34)33-25(35)17-7-6-12(37-17)10-36-16-4-2-3-14(27)20(16)28/h2-9,23H,10H2,1H3,(H2,31,34)(H,33,35).

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

3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 608.48 g/mol, XLogP of 8.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[(2,3-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-6-(difluoromethyl)-4-(5-methylthiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19415856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).