2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate

C75H90F7N7O8S — CID 157462243

About 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate

2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate (PubChem CID 157462243) has the molecular formula C75H90F7N7O8S and a molecular weight of 1382.64 g/mol. Its IUPAC name is 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate.

Molecular Properties

• Compound Name: 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
• PubChem CID: 157462243
• Molecular Formula: C75H90F7N7O8S
• Molecular Weight: 1382.64 g/mol
• Exact Mass: 1381.65
• IUPAC Name: 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
• SMILES: CCCN(C)C(=O)c1cnc(CCCCCCC(=O)N(C)CCN2CCC(OC(=O)Cc3ccccc3-c3ccccc3)CC2)s1.CCN(C)C(=O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2
• InChI: InChI=1S/C38H40F7N3O4.C37H50N4O4S/c1-3-46(2)33(49)22-51-32-20-25-6-4-5-7-31(25)35(32)12-15-47(16-13-35)17-14-36(27-8-10-30(39)11-9-27)23-48(24-52-36)34(50)26-18-28(37(40,41)42)21-29(19-26)38(43,44)45;1-4-22-40(3)37(44)33-28-38-34(46-33)18-10-5-6-11-19-35(42)39(2)25-26-41-23-20-31(21-24-41)45-36(43)27-30-16-12-13-17-32(30)29-14-8-7-9-15-29/h4-11,18-19,21,32H,3,12-17,20,22-24H2,1-2H3;7-9,12-17,28,31H,4-6,10-11,18-27H2,1-3H3/t32-,36-;/m0./s1
• InChIKey: BUBCXRJDOVZTSM-YZWUSWNESA-N
• XLogP: 13.53
• TPSA: 145.37 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.64
LogP ≤ 5	13.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?

The IUPAC name of 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate (CID 157462243) is 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate.

What is the SMILES notation for 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?

The canonical SMILES for 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate is CCCN(C)C(=O)c1cnc(CCCCCCC(=O)N(C)CCN2CCC(OC(=O)Cc3ccccc3-c3ccccc3)CC2)s1.CCN(C)C(=O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2.

What is the InChIKey of 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?

The InChIKey is BUBCXRJDOVZTSM-YZWUSWNESA-N. The full InChI is InChI=1S/C38H40F7N3O4.C37H50N4O4S/c1-3-46(2)33(49)22-51-32-20-25-6-4-5-7-31(25)35(32)12-15-47(16-13-35)17-14-36(27-8-10-30(39)11-9-27)23-48(24-52-36)34(50)26-18-28(37(40,41)42)21-29(19-26)38(43,44)45;1-4-22-40(3)37(44)33-28-38-34(46-33)18-10-5-6-11-19-35(42)39(2)25-26-41-23-20-31(21-24-41)45-36(43)27-30-16-12-13-17-32(30)29-14-8-7-9-15-29/h4-11,18-19,21,32H,3,12-17,20,22-24H2,1-2H3;7-9,12-17,28,31H,4-6,10-11,18-27H2,1-3H3/t32-,36-;/m0./s1.

What are the key properties of 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?

2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate has a molecular weight of 1382.64 g/mol, XLogP of 13.53, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-ethyl-N-methylacetamide;[1-[2-[methyl-[7-[5-[methyl(propyl)carbamoyl]-1,3-thiazol-2-yl]heptanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate is sourced from PubChem (CID 157462243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).