(3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide

C52H47F5N4O6S — CID 157214069

About (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide

(3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide (PubChem CID 157214069) has the molecular formula C52H47F5N4O6S and a molecular weight of 951.03 g/mol. Its IUPAC name is (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
• PubChem CID: 157214069
• Molecular Formula: C52H47F5N4O6S
• Molecular Weight: 951.03 g/mol
• Exact Mass: 950.31
• IUPAC Name: (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
• SMILES: Cc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4F)c(F)c3F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4NS(C)(=O)=O)c(F)c3F)C2=O)nc1
• InChI: InChI=1S/C26H22F3NO2.C26H25F2N3O4S/c1-16-6-8-17(9-7-16)14-19(31)15-18-12-13-30(26(18)32)23-11-10-21(24(28)25(23)29)20-4-2-3-5-22(20)27;1-16-7-8-18(29-15-16)14-19(32)13-17-11-12-31(26(17)33)23-10-9-21(24(27)25(23)28)20-5-3-4-6-22(20)30-36(2,34)35/h2-11,18H,12-15H2,1H3;3-10,15,17,30H,11-14H2,1-2H3/t18-;17-/m00/s1
• InChIKey: ASFFRBPGVIKAMD-NRYUZRROSA-N
• XLogP: 9.90
• TPSA: 133.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.03
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?

The IUPAC name of (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide (CID 157214069) is (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide.

What is the SMILES notation for (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?

The canonical SMILES for (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide is Cc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4F)c(F)c3F)C2=O)cc1.Cc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4NS(C)(=O)=O)c(F)c3F)C2=O)nc1.

What is the InChIKey of (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?

The InChIKey is ASFFRBPGVIKAMD-NRYUZRROSA-N. The full InChI is InChI=1S/C26H22F3NO2.C26H25F2N3O4S/c1-16-6-8-17(9-7-16)14-19(31)15-18-12-13-30(26(18)32)23-11-10-21(24(28)25(23)29)20-4-2-3-5-22(20)27;1-16-7-8-18(29-15-16)14-19(32)13-17-11-12-31(26(17)33)23-10-9-21(24(27)25(23)28)20-5-3-4-6-22(20)30-36(2,34)35/h2-11,18H,12-15H2,1H3;3-10,15,17,30H,11-14H2,1-2H3/t18-;17-/m00/s1.

What are the key properties of (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?

(3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide has a molecular weight of 951.03 g/mol, XLogP of 9.90, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[2,3-difluoro-4-(2-fluorophenyl)phenyl]-3-[3-(4-methylphenyl)-2-oxopropyl]pyrrolidin-2-one;N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 157214069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).