5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide

C25H23FN4O3S — CID 55824923

About 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 55824923) has the molecular formula C25H23FN4O3S and a molecular weight of 478.55 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
• PubChem CID: 55824923
• Molecular Formula: C25H23FN4O3S
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.15
• IUPAC Name: 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
• SMILES: COc1ccccc1C(NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1nccn1C
• InChI: InChI=1S/C25H23FN4O3S/c1-15-13-20(28-24(31)16-7-6-8-17(26)14-16)34-22(15)25(32)29-21(23-27-11-12-30(23)2)18-9-4-5-10-19(18)33-3/h4-14,21H,1-3H3,(H,28,31)(H,29,32)
• InChIKey: SVGFIZVWHIHAJG-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?

The IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide (CID 55824923) is 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide.

What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?

The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide is COc1ccccc1C(NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C)c1nccn1C.

What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?

The InChIKey is SVGFIZVWHIHAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3S/c1-15-13-20(28-24(31)16-7-6-8-17(26)14-16)34-22(15)25(32)29-21(23-27-11-12-30(23)2)18-9-4-5-10-19(18)33-3/h4-14,21H,1-3H3,(H,28,31)(H,29,32).

What are the key properties of 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide?

5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55824923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).