N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)

C24H22F4N4O5SW — CID 162460969

About N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)

N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+) (PubChem CID 162460969) has the molecular formula C24H22F4N4O5SW and a molecular weight of 738.36 g/mol. Its IUPAC name is N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+).

Molecular Properties

• Compound Name: N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)
• PubChem CID: 162460969
• Molecular Formula: C24H22F4N4O5SW
• Molecular Weight: 738.36 g/mol
• Exact Mass: 738.08
• IUPAC Name: N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)
• SMILES: [CH2-]C(=O)N(c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC)[C@@H]1[CH-]CN(S(=O)(=O)Nc2ccon2)CC1.[W+2]
• InChI: InChI=1S/C24H22F4N4O5S.W/c1-15(33)32(18-6-9-31(10-7-18)38(34,35)30-23-8-11-37-29-23)21-14-20(25)19(13-22(21)36-2)16-4-3-5-17(12-16)24(26,27)28;/h3-6,8,11-14,18H,1,7,9-10H2,2H3,(H,29,30);/q-2;+2/t18-;/m1./s1
• InChIKey: BJNPRHRKRXROAN-GMUIIQOCSA-N
• XLogP: 4.31
• TPSA: 104.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.36
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)?

The IUPAC name of N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+) (CID 162460969) is N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+).

What is the SMILES notation for N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)?

The canonical SMILES for N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+) is [CH2-]C(=O)N(c1cc(F)c(-c2cccc(C(F)(F)F)c2)cc1OC)[C@@H]1[CH-]CN(S(=O)(=O)Nc2ccon2)CC1.[W+2].

What is the InChIKey of N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)?

The InChIKey is BJNPRHRKRXROAN-GMUIIQOCSA-N. The full InChI is InChI=1S/C24H22F4N4O5S.W/c1-15(33)32(18-6-9-31(10-7-18)38(34,35)30-23-8-11-37-29-23)21-14-20(25)19(13-22(21)36-2)16-4-3-5-17(12-16)24(26,27)28;/h3-6,8,11-14,18H,1,7,9-10H2,2H3,(H,29,30);/q-2;+2/t18-;/m1./s1.

What are the key properties of N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+)?

N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+) has a molecular weight of 738.36 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)phenyl]phenyl]-N-[(4R)-1-(1,2-oxazol-3-ylsulfamoyl)piperidin-5-id-4-yl]acetamide;tungsten(2+) is sourced from PubChem (CID 162460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).