(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

C28H45F2N5O10S — CID 73293037

About (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 73293037) has the molecular formula C28H45F2N5O10S and a molecular weight of 681.76 g/mol. Its IUPAC name is (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
• PubChem CID: 73293037
• Molecular Formula: C28H45F2N5O10S
• Molecular Weight: 681.76 g/mol
• Exact Mass: 681.29
• IUPAC Name: (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
• SMILES: CC(C)[C@H](C(=O)NO)N(CCn1cc(COCCOCCOCCOCCOCCF)nn1)S(=O)(=O)c1ccc(OCCF)cc1
• InChI: InChI=1S/C28H45F2N5O10S/c1-23(2)27(28(36)32-37)35(46(38,39)26-5-3-25(4-6-26)45-12-8-30)10-9-34-21-24(31-33-34)22-44-20-19-43-18-17-42-16-15-41-14-13-40-11-7-29/h3-6,21,23,27,37H,7-20,22H2,1-2H3,(H,32,36)/t27-/m1/s1
• InChIKey: MIKGRMSWGTVOSA-HHHXNRCGSA-N
• XLogP: 1.40
• TPSA: 172.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	681.76
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?

The IUPAC name of (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 73293037) is (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

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

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

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

The InChIKey is MIKGRMSWGTVOSA-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H45F2N5O10S/c1-23(2)27(28(36)32-37)35(46(38,39)26-5-3-25(4-6-26)45-12-8-30)10-9-34-21-24(31-33-34)22-44-20-19-43-18-17-42-16-15-41-14-13-40-11-7-29/h3-6,21,23,27,37H,7-20,22H2,1-2H3,(H,32,36)/t27-/m1/s1.

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

(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 681.76 g/mol, XLogP of 1.40, 27 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73293037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).