N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

C26H23FN4O3S — CID 3201989

About N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide

N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 3201989) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
• PubChem CID: 3201989
• Molecular Formula: C26H23FN4O3S
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.15
• IUPAC Name: N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
• SMILES: CCOc1ccccc1C(C(=O)Nc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1
• InChI: InChI=1S/C26H23FN4O3S/c1-2-34-23-8-4-3-7-21(23)24(25(32)30-19-11-9-18(27)10-12-19)31(17-20-6-5-15-35-20)26(33)22-16-28-13-14-29-22/h3-16,24H,2,17H2,1H3,(H,30,32)
• InChIKey: SLNTWABJBKXWCX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide (CID 3201989) is N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is CCOc1ccccc1C(C(=O)Nc1ccc(F)cc1)N(Cc1cccs1)C(=O)c1cnccn1.

What is the InChIKey of N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?

The InChIKey is SLNTWABJBKXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-2-34-23-8-4-3-7-21(23)24(25(32)30-19-11-9-18(27)10-12-19)31(17-20-6-5-15-35-20)26(33)22-16-28-13-14-29-22/h3-16,24H,2,17H2,1H3,(H,30,32).

What are the key properties of N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide?

N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 3201989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).