5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C24H28FN3O5S2 — CID 68736785

About 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 68736785) has the molecular formula C24H28FN3O5S2 and a molecular weight of 521.64 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 68736785
• Molecular Formula: C24H28FN3O5S2
• Molecular Weight: 521.64 g/mol
• Exact Mass: 521.15
• IUPAC Name: 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CS(=O)(=O)CC(C)(C)O)n3)s2)c(F)c1
• InChI: InChI=1S/C24H28FN3O5S2/c1-14(29)9-15-7-8-17(19(25)10-15)20-11-18(22(26)30)23(34-20)28-21-6-4-5-16(27-21)12-35(32,33)13-24(2,3)31/h4-8,10-11,14,29,31H,9,12-13H2,1-3H3,(H2,26,30)(H,27,28)
• InChIKey: SLMGHZXOFFSEDZ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 142.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.64
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 68736785) is 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CC(O)Cc1ccc(-c2cc(C(N)=O)c(Nc3cccc(CS(=O)(=O)CC(C)(C)O)n3)s2)c(F)c1.

What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is SLMGHZXOFFSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O5S2/c1-14(29)9-15-7-8-17(19(25)10-15)20-11-18(22(26)30)23(34-20)28-21-6-4-5-16(27-21)12-35(32,33)13-24(2,3)31/h4-8,10-11,14,29,31H,9,12-13H2,1-3H3,(H2,26,30)(H,27,28).

What are the key properties of 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 521.64 g/mol, XLogP of 3.40, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropyl)sulfonylmethyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68736785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).