N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide

C25H23F3N2O5S — CID 24768061

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide (PubChem CID 24768061) has the molecular formula C25H23F3N2O5S and a molecular weight of 520.53 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide
• PubChem CID: 24768061
• Molecular Formula: C25H23F3N2O5S
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.13
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide
• SMILES: CC(O)(CS(=O)(=O)c1ccc(CCCO)c2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
• InChI: InChI=1S/C25H23F3N2O5S/c1-24(33,23(32)30-18-10-8-17(14-29)21(13-18)25(26,27)28)15-36(34,35)22-11-9-16(5-4-12-31)19-6-2-3-7-20(19)22/h2-3,6-11,13,31,33H,4-5,12,15H2,1H3,(H,30,32)
• InChIKey: LYIUYGNPIUDWIJ-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 127.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide?

The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide (CID 24768061) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide.

What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide?

The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide is CC(O)(CS(=O)(=O)c1ccc(CCCO)c2ccccc12)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.

What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide?

The InChIKey is LYIUYGNPIUDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O5S/c1-24(33,23(32)30-18-10-8-17(14-29)21(13-18)25(26,27)28)15-36(34,35)22-11-9-16(5-4-12-31)19-6-2-3-7-20(19)22/h2-3,6-11,13,31,33H,4-5,12,15H2,1H3,(H,30,32).

What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide?

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide has a molecular weight of 520.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[4-(3-hydroxypropyl)naphthalen-1-yl]sulfonyl-2-methylpropanamide is sourced from PubChem (CID 24768061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).