5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide

C23H22N4O3S — CID 44555128

About 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide

5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide (PubChem CID 44555128) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide
• PubChem CID: 44555128
• Molecular Formula: C23H22N4O3S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.14
• IUPAC Name: 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide
• SMILES: COc1ccc2nc(Nc3sc(-c4ccc(C(C)(C)O)cc4)cc3C(N)=O)ccc2n1
• InChI: InChI=1S/C23H22N4O3S/c1-23(2,29)14-6-4-13(5-7-14)18-12-15(21(24)28)22(31-18)27-19-10-8-17-16(25-19)9-11-20(26-17)30-3/h4-12,29H,1-3H3,(H2,24,28)(H,25,27)
• InChIKey: NFFIJFMNLXTDSS-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 110.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide?

The IUPAC name of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide (CID 44555128) is 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide is COc1ccc2nc(Nc3sc(-c4ccc(C(C)(C)O)cc4)cc3C(N)=O)ccc2n1.

What is the InChIKey of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide?

The InChIKey is NFFIJFMNLXTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-23(2,29)14-6-4-13(5-7-14)18-12-15(21(24)28)22(31-18)27-19-10-8-17-16(25-19)9-11-20(26-17)30-3/h4-12,29H,1-3H3,(H2,24,28)(H,25,27).

What are the key properties of 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide?

5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 44555128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).