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

C27H44FN5O10S — CID 73292869

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

(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 73292869) has the molecular formula C27H44FN5O10S and a molecular weight of 649.74 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-methoxyphenyl)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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
• PubChem CID: 73292869
• Molecular Formula: C27H44FN5O10S
• Molecular Weight: 649.74 g/mol
• Exact Mass: 649.28
• IUPAC Name: (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
• SMILES: COc1ccc(S(=O)(=O)N(CCn2cc(COCCOCCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)cc1
• InChI: InChI=1S/C27H44FN5O10S/c1-22(2)26(27(34)30-35)33(44(36,37)25-6-4-24(38-3)5-7-25)10-9-32-20-23(29-31-32)21-43-19-18-42-17-16-41-15-14-40-13-12-39-11-8-28/h4-7,20,22,26,35H,8-19,21H2,1-3H3,(H,30,34)/t26-/m1/s1
• InChIKey: LTTRJMCJTUBEGF-AREMUKBSSA-N
• XLogP: 1.06
• TPSA: 172.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 25
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.74
LogP ≤ 5	1.06
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-methoxyphenyl)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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 73292869) is (2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is COc1ccc(S(=O)(=O)N(CCn2cc(COCCOCCOCCOCCOCCF)nn2)[C@@H](C(=O)NO)C(C)C)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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?

The InChIKey is LTTRJMCJTUBEGF-AREMUKBSSA-N. The full InChI is InChI=1S/C27H44FN5O10S/c1-22(2)26(27(34)30-35)33(44(36,37)25-6-4-24(38-3)5-7-25)10-9-32-20-23(29-31-32)21-43-19-18-42-17-16-41-15-14-40-13-12-39-11-8-28/h4-7,20,22,26,35H,8-19,21H2,1-3H3,(H,30,34)/t26-/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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide?

(2R)-2-[2-[4-[2-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 649.74 g/mol, XLogP of 1.06, 25 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-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 73292869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).