(2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C28H30N4O7S — CID 67044282

About (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 67044282) has the molecular formula C28H30N4O7S and a molecular weight of 566.64 g/mol. Its IUPAC name is (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
• PubChem CID: 67044282
• Molecular Formula: C28H30N4O7S
• Molecular Weight: 566.64 g/mol
• Exact Mass: 566.18
• IUPAC Name: (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
• SMILES: COc1ccc2c(c1)C(c1cccnc1OC)(N1C[C@H](O)C[C@H]1C(=O)N(C)C)C(=O)N2S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C28H30N4O7S/c1-30(2)26(34)24-15-18(33)17-31(24)28(21-11-8-14-29-25(21)39-4)22-16-19(38-3)12-13-23(22)32(27(28)35)40(36,37)20-9-6-5-7-10-20/h5-14,16,18,24,33H,15,17H2,1-4H3/t18-,24+,28?/m1/s1
• InChIKey: QIUICAZLPSEHOS-SEFVTTAQSA-N
• XLogP: 1.60
• TPSA: 129.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.64
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 67044282) is (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc2c(c1)C(c1cccnc1OC)(N1C[C@H](O)C[C@H]1C(=O)N(C)C)C(=O)N2S(=O)(=O)c1ccccc1.

What is the InChIKey of (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

The InChIKey is QIUICAZLPSEHOS-SEFVTTAQSA-N. The full InChI is InChI=1S/C28H30N4O7S/c1-30(2)26(34)24-15-18(33)17-31(24)28(21-11-8-14-29-25(21)39-4)22-16-19(38-3)12-13-23(22)32(27(28)35)40(36,37)20-9-6-5-7-10-20/h5-14,16,18,24,33H,15,17H2,1-4H3/t18-,24+,28?/m1/s1.

What are the key properties of (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?

(2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 566.64 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-[1-(benzenesulfonyl)-5-methoxy-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67044282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).