2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid

C32H30Cl2F2N2O6S — CID 90341919

About 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid

2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 90341919) has the molecular formula C32H30Cl2F2N2O6S and a molecular weight of 679.57 g/mol. Its IUPAC name is 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid
• PubChem CID: 90341919
• Molecular Formula: C32H30Cl2F2N2O6S
• Molecular Weight: 679.57 g/mol
• Exact Mass: 678.12
• IUPAC Name: 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid
• SMILES: O=C(O)C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2(c3cc(F)ccc3F)CC2)C2CC2)C1=O
• InChI: InChI=1S/C32H30Cl2F2N2O6S/c33-21-8-6-19(7-9-21)29-30(20-2-1-3-22(34)14-20)44-27(16-28(39)40)31(41)38(29)26(18-4-5-18)17-37-45(42,43)32(12-13-32)24-15-23(35)10-11-25(24)36/h1-3,6-11,14-15,18,26-27,29-30,37H,4-5,12-13,16-17H2,(H,39,40)/t26-,27-,29-,30-/m1/s1
• InChIKey: SKDCAGKEVXDXPB-XQQPTAJKSA-N
• XLogP: 6.14
• TPSA: 113.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.57
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid?

The IUPAC name of 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid (CID 90341919) is 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid.

What is the SMILES notation for 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid?

The canonical SMILES for 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid is O=C(O)C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C2(c3cc(F)ccc3F)CC2)C2CC2)C1=O.

What is the InChIKey of 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid?

The InChIKey is SKDCAGKEVXDXPB-XQQPTAJKSA-N. The full InChI is InChI=1S/C32H30Cl2F2N2O6S/c33-21-8-6-19(7-9-21)29-30(20-2-1-3-22(34)14-20)44-27(16-28(39)40)31(41)38(29)26(18-4-5-18)17-37-45(42,43)32(12-13-32)24-15-23(35)10-11-25(24)36/h1-3,6-11,14-15,18,26-27,29-30,37H,4-5,12-13,16-17H2,(H,39,40)/t26-,27-,29-,30-/m1/s1.

What are the key properties of 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid?

2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 679.57 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(1S)-1-cyclopropyl-2-[[1-(2,5-difluorophenyl)cyclopropyl]sulfonylamino]ethyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 90341919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).