N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide

C26H20F5N5O4S — CID 159761372

About N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide

N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide (PubChem CID 159761372) has the molecular formula C26H20F5N5O4S and a molecular weight of 593.53 g/mol. Its IUPAC name is N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide
• PubChem CID: 159761372
• Molecular Formula: C26H20F5N5O4S
• Molecular Weight: 593.53 g/mol
• Exact Mass: 593.12
• IUPAC Name: N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide
• SMILES: CCC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(F)c(-c2cc(F)c(F)c(C(F)F)c2)cc1OC
• InChI: InChI=1S/C26H20F5N5O4S/c1-3-23(37)36(22-6-5-15(13-34-22)41(38,39)35-26-32-7-4-8-33-26)20-12-18(27)16(11-21(20)40-2)14-9-17(25(30)31)24(29)19(28)10-14/h4-13,25H,3H2,1-2H3,(H,32,33,35)
• InChIKey: NEXVQGOQRRSDNS-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.53
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide?

The IUPAC name of N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide (CID 159761372) is N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide.

What is the SMILES notation for N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide?

The canonical SMILES for N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide is CCC(=O)N(c1ccc(S(=O)(=O)Nc2ncccn2)cn1)c1cc(F)c(-c2cc(F)c(F)c(C(F)F)c2)cc1OC.

What is the InChIKey of N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide?

The InChIKey is NEXVQGOQRRSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N5O4S/c1-3-23(37)36(22-6-5-15(13-34-22)41(38,39)35-26-32-7-4-8-33-26)20-12-18(27)16(11-21(20)40-2)14-9-17(25(30)31)24(29)19(28)10-14/h4-13,25H,3H2,1-2H3,(H,32,33,35).

What are the key properties of N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide?

N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide has a molecular weight of 593.53 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(difluoromethyl)-4,5-difluorophenyl]-5-fluoro-2-methoxyphenyl]-N-[5-(pyrimidin-2-ylsulfamoyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 159761372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).