5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide

C20H20FN3O4S2 — CID 25123162

About 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 25123162) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide
• PubChem CID: 25123162
• Molecular Formula: C20H20FN3O4S2
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.09
• IUPAC Name: 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide
• SMILES: CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cn3)s2)c(F)c1
• InChI: InChI=1S/C20H20FN3O4S2/c1-11(10-25)12-3-5-14(16(21)7-12)17-8-15(19(22)26)20(29-17)24-18-6-4-13(9-23-18)30(2,27)28/h3-9,11,25H,10H2,1-2H3,(H2,22,26)(H,23,24)
• InChIKey: HDVYUNFOUWQGAR-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 122.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide (CID 25123162) is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide is CC(CO)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(S(C)(=O)=O)cn3)s2)c(F)c1.

What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide?

The InChIKey is HDVYUNFOUWQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c1-11(10-25)12-3-5-14(16(21)7-12)17-8-15(19(22)26)20(29-17)24-18-6-4-13(9-23-18)30(2,27)28/h3-9,11,25H,10H2,1-2H3,(H2,22,26)(H,23,24).

What are the key properties of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide?

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(5-methylsulfonyl-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 25123162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).