5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C27H26FN3O2S — CID 68736510

About 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 68736510) has the molecular formula C27H26FN3O2S and a molecular weight of 475.59 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 68736510
• Molecular Formula: C27H26FN3O2S
• Molecular Weight: 475.59 g/mol
• Exact Mass: 475.17
• IUPAC Name: 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CCc4ccccc4)n3)s2)c(F)c1
• InChI: InChI=1S/C27H26FN3O2S/c1-27(2,33)18-12-14-20(22(28)15-18)23-16-21(25(29)32)26(34-23)31-24-10-6-9-19(30-24)13-11-17-7-4-3-5-8-17/h3-10,12,14-16,33H,11,13H2,1-2H3,(H2,29,32)(H,30,31)
• InChIKey: RNZDXGZONUFHSL-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 88.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.59
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 68736510) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

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

The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CCc4ccccc4)n3)s2)c(F)c1.

What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is RNZDXGZONUFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O2S/c1-27(2,33)18-12-14-20(22(28)15-18)23-16-21(25(29)32)26(34-23)31-24-10-6-9-19(30-24)13-11-17-7-4-3-5-8-17/h3-10,12,14-16,33H,11,13H2,1-2H3,(H2,29,32)(H,30,31).

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 5.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2-phenylethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68736510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).