5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C23H25F2N3O3S — CID 59526406

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526406) has the molecular formula C23H25F2N3O3S and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 59526406
• Molecular Formula: C23H25F2N3O3S
• Molecular Weight: 461.53 g/mol
• Exact Mass: 461.16
• IUPAC Name: 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CC(C)(O)Cc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1
• InChI: InChI=1S/C23H25F2N3O3S/c1-22(2,30)11-13-6-5-7-18(27-13)28-21-14(20(26)29)10-17(32-21)19-15(24)8-12(9-16(19)25)23(3,4)31/h5-10,30-31H,11H2,1-4H3,(H2,26,29)(H,27,28)
• InChIKey: DDKYWOLXTNPWDW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 108.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.53
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526406) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)Cc1cccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)n1.

What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is DDKYWOLXTNPWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O3S/c1-22(2,30)11-13-6-5-7-18(27-13)28-21-14(20(26)29)10-17(32-21)19-15(24)8-12(9-16(19)25)23(3,4)31/h5-10,30-31H,11H2,1-4H3,(H2,26,29)(H,27,28).

What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide?

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 461.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-hydroxy-2-methylpropyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).