N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide

C25H23FN4O5S — CID 159932701

About N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide

N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide (PubChem CID 159932701) has the molecular formula C25H23FN4O5S and a molecular weight of 510.55 g/mol. Its IUPAC name is N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
• PubChem CID: 159932701
• Molecular Formula: C25H23FN4O5S
• Molecular Weight: 510.55 g/mol
• Exact Mass: 510.14
• IUPAC Name: N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide
• SMILES: CCC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1ccc(-c2ccc(F)c(C)c2)cc1OC
• InChI: InChI=1S/C25H23FN4O5S/c1-4-25(31)30(24-10-7-19(15-27-24)36(32,33)29-23-11-12-35-28-23)21-9-6-18(14-22(21)34-3)17-5-8-20(26)16(2)13-17/h5-15H,4H2,1-3H3,(H,28,29)
• InChIKey: NZVRMMMGNIYQTK-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?

The IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide (CID 159932701) is N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide.

What is the SMILES notation for N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?

The canonical SMILES for N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide is CCC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1ccc(-c2ccc(F)c(C)c2)cc1OC.

What is the InChIKey of N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?

The InChIKey is NZVRMMMGNIYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5S/c1-4-25(31)30(24-10-7-19(15-27-24)36(32,33)29-23-11-12-35-28-23)21-9-6-18(14-22(21)34-3)17-5-8-20(26)16(2)13-17/h5-15H,4H2,1-3H3,(H,28,29).

What are the key properties of N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide?

N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide has a molecular weight of 510.55 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 159932701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).