2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide

C37H35Cl2FN4O5S — CID 90342333

About 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide

2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide (PubChem CID 90342333) has the molecular formula C37H35Cl2FN4O5S and a molecular weight of 737.68 g/mol. Its IUPAC name is 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide
• PubChem CID: 90342333
• Molecular Formula: C37H35Cl2FN4O5S
• Molecular Weight: 737.68 g/mol
• Exact Mass: 736.17
• IUPAC Name: 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide
• SMILES: O=C(C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2(c3ccccc3F)CC2)C2CC2)C1=O)Nc1ccccn1
• InChI: InChI=1S/C37H35Cl2FN4O5S/c38-26-15-13-24(14-16-26)34-35(25-6-5-7-27(39)20-25)49-31(21-33(45)43-32-10-3-4-19-41-32)36(46)44(34)30(23-11-12-23)22-42-50(47,48)37(17-18-37)28-8-1-2-9-29(28)40/h1-10,13-16,19-20,23,30-31,34-35,42H,11-12,17-18,21-22H2,(H,41,43,45)/t30-,31+,34-,35-/m1/s1
• InChIKey: VZRRRYZFCUOFPU-UGCMOBBOSA-N
• XLogP: 6.95
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.68
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide?

The IUPAC name of 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide (CID 90342333) is 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide.

What is the SMILES notation for 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide?

The canonical SMILES for 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide is O=C(C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2(c3ccccc3F)CC2)C2CC2)C1=O)Nc1ccccn1.

What is the InChIKey of 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide?

The InChIKey is VZRRRYZFCUOFPU-UGCMOBBOSA-N. The full InChI is InChI=1S/C37H35Cl2FN4O5S/c38-26-15-13-24(14-16-26)34-35(25-6-5-7-27(39)20-25)49-31(21-33(45)43-32-10-3-4-19-41-32)36(46)44(34)30(23-11-12-23)22-42-50(47,48)37(17-18-37)28-8-1-2-9-29(28)40/h1-10,13-16,19-20,23,30-31,34-35,42H,11-12,17-18,21-22H2,(H,41,43,45)/t30-,31+,34-,35-/m1/s1.

What are the key properties of 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide?

2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide has a molecular weight of 737.68 g/mol, XLogP of 6.95, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2-fluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 90342333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).