3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

C24H21F2N5O4S — CID 21060725

About 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide

3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (PubChem CID 21060725) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
• PubChem CID: 21060725
• Molecular Formula: C24H21F2N5O4S
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.13
• IUPAC Name: 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
• SMILES: CC(CF)(CF)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(-c3noc(-c4ccccn4)n3)cc2)c1
• InChI: InChI=1S/C24H21F2N5O4S/c1-24(14-25,15-26)23(32)28-17-5-4-6-18(13-17)31-36(33,34)19-10-8-16(9-11-19)21-29-22(35-30-21)20-7-2-3-12-27-20/h2-13,31H,14-15H2,1H3,(H,28,32)
• InChIKey: QNKMXZIBNIXGID-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 127.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?

The IUPAC name of 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide (CID 21060725) is 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide.

What is the SMILES notation for 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?

The canonical SMILES for 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is CC(CF)(CF)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(-c3noc(-c4ccccn4)n3)cc2)c1.

What is the InChIKey of 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?

The InChIKey is QNKMXZIBNIXGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c1-24(14-25,15-26)23(32)28-17-5-4-6-18(13-17)31-36(33,34)19-10-8-16(9-11-19)21-29-22(35-30-21)20-7-2-3-12-27-20/h2-13,31H,14-15H2,1H3,(H,28,32).

What are the key properties of 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide?

3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide has a molecular weight of 513.53 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-(fluoromethyl)-2-methyl-N-[3-[[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 21060725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).