N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

C28H32F3N3O3S — CID 98307484

About N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide

N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98307484) has the molecular formula C28H32F3N3O3S and a molecular weight of 547.64 g/mol. Its IUPAC name is N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 98307484
• Molecular Formula: C28H32F3N3O3S
• Molecular Weight: 547.64 g/mol
• Exact Mass: 547.21
• IUPAC Name: N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
• SMILES: CC(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/C28H32F3N3O3S/c1-19(2)21-10-12-22(13-11-21)27-25-9-6-14-32(25)15-16-33(27)26(35)18-34(20(3)4)38(36,37)24-8-5-7-23(17-24)28(29,30)31/h5-14,17,19-20,27H,15-16,18H2,1-4H3/t27-/m1/s1
• InChIKey: DFBCAZWQCDTUBX-HHHXNRCGSA-N
• XLogP: 5.66
• TPSA: 62.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.64
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 98307484) is N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is CC(C)c1ccc([C@@H]2c3cccn3CCN2C(=O)CN(C(C)C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is DFBCAZWQCDTUBX-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H32F3N3O3S/c1-19(2)21-10-12-22(13-11-21)27-25-9-6-14-32(25)15-16-33(27)26(35)18-34(20(3)4)38(36,37)24-8-5-7-23(17-24)28(29,30)31/h5-14,17,19-20,27H,15-16,18H2,1-4H3/t27-/m1/s1.

What are the key properties of N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide?

N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 547.64 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[(1R)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98307484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).