N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide

C28H34F3N3O8S — CID 142895744

About N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 142895744) has the molecular formula C28H34F3N3O8S and a molecular weight of 629.65 g/mol. Its IUPAC name is N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 142895744
• Molecular Formula: C28H34F3N3O8S
• Molecular Weight: 629.65 g/mol
• Exact Mass: 629.20
• IUPAC Name: N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide
• SMILES: C[C@H](CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)CN1CCN(c2ccc(OC(F)(F)F)cc2)C1=O
• InChI: InChI=1S/C28H34F3N3O8S/c1-20(19-33-14-15-34(26(33)36)21-4-6-23(7-5-21)42-28(29,30)31)3-2-16-41-22-8-10-24(11-9-22)43(38,39)27(25(35)32-37)12-17-40-18-13-27/h4-11,20,37H,2-3,12-19H2,1H3,(H,32,35)/t20-/m1/s1
• InChIKey: AKPAXYIOKAHISP-HXUWFJFHSA-N
• XLogP: 4.15
• TPSA: 134.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.65
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide (CID 142895744) is N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide is C[C@H](CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)CN1CCN(c2ccc(OC(F)(F)F)cc2)C1=O.

What is the InChIKey of N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is AKPAXYIOKAHISP-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H34F3N3O8S/c1-20(19-33-14-15-34(26(33)36)21-4-6-23(7-5-21)42-28(29,30)31)3-2-16-41-22-8-10-24(11-9-22)43(38,39)27(25(35)32-37)12-17-40-18-13-27/h4-11,20,37H,2-3,12-19H2,1H3,(H,32,35)/t20-/m1/s1.

What are the key properties of N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 629.65 g/mol, XLogP of 4.15, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[(4R)-4-methyl-5-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]pentoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 142895744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).