(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide

C20H29F2N5O5S — CID 73293036

About (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (PubChem CID 73293036) has the molecular formula C20H29F2N5O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
• PubChem CID: 73293036
• Molecular Formula: C20H29F2N5O5S
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.19
• IUPAC Name: (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide
• SMILES: CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
• InChI: InChI=1S/C20H29F2N5O5S/c1-15(2)19(20(28)24-29)27(12-11-26-14-16(23-25-26)4-3-9-21)33(30,31)18-7-5-17(6-8-18)32-13-10-22/h5-8,14-15,19,29H,3-4,9-13H2,1-2H3,(H,24,28)/t19-/m1/s1
• InChIKey: WTEZGXPTIFMTCH-LJQANCHMSA-N
• XLogP: 1.75
• TPSA: 126.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?

The IUPAC name of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide (CID 73293036) is (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide.

What is the SMILES notation for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?

The canonical SMILES for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(CCn1cc(CCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1.

What is the InChIKey of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?

The InChIKey is WTEZGXPTIFMTCH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29F2N5O5S/c1-15(2)19(20(28)24-29)27(12-11-26-14-16(23-25-26)4-3-9-21)33(30,31)18-7-5-17(6-8-18)32-13-10-22/h5-8,14-15,19,29H,3-4,9-13H2,1-2H3,(H,24,28)/t19-/m1/s1.

What are the key properties of (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide?

(2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 489.55 g/mol, XLogP of 1.75, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[4-(2-fluoroethoxy)phenyl]sulfonyl-[2-[4-(3-fluoropropyl)triazol-1-yl]ethyl]amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73293036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).