N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

C74H84F2N14O16S2 — CID 126503761

About N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide

N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (PubChem CID 126503761) has the molecular formula C74H84F2N14O16S2 and a molecular weight of 1527.70 g/mol. Its IUPAC name is N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 126503761
• Molecular Formula: C74H84F2N14O16S2
• Molecular Weight: 1527.70 g/mol
• Exact Mass: 1526.56
• IUPAC Name: N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
• SMILES: CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2cc(F)c(OC)cc2OC)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(C#N)cc21
• InChI: InChI=1S/2C37H42FN7O8S/c1-4-53-34-28(6-5-11-40-34)37(41-36(47)44-16-14-43(15-17-44)25-9-12-42(13-10-25)26-22-52-23-26)29-18-24(21-39)30(38)20-31(29)45(35(37)46)54(48,49)33-8-7-27(50-2)19-32(33)51-3;1-4-53-34-27(6-5-11-40-34)37(41-36(47)44-16-14-43(15-17-44)25-9-12-42(13-10-25)26-22-52-23-26)28-18-24(21-39)7-8-30(28)45(35(37)46)54(48,49)33-19-29(38)31(50-2)20-32(33)51-3/h2*5-8,11,18-20,25-26H,4,9-10,12-17,22-23H2,1-3H3,(H,41,47)/t2*37-/m11/s1
• InChIKey: BJWCSGMTXKYQOS-NEABDWOWSA-N
• XLogP: 5.36
• TPSA: 333.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1527.70
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide (CID 126503761) is N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2cc(F)c(OC)cc2OC)c2ccc(C#N)cc21.CCOc1ncccc1[C@]1(NC(=O)N2CCN(C3CCN(C4COC4)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(C#N)cc21.

What is the InChIKey of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

The InChIKey is BJWCSGMTXKYQOS-NEABDWOWSA-N. The full InChI is InChI=1S/2C37H42FN7O8S/c1-4-53-34-28(6-5-11-40-34)37(41-36(47)44-16-14-43(15-17-44)25-9-12-42(13-10-25)26-22-52-23-26)29-18-24(21-39)30(38)20-31(29)45(35(37)46)54(48,49)33-8-7-27(50-2)19-32(33)51-3;1-4-53-34-27(6-5-11-40-34)37(41-36(47)44-16-14-43(15-17-44)25-9-12-42(13-10-25)26-22-52-23-26)28-18-24(21-39)7-8-30(28)45(35(37)46)54(48,49)33-19-29(38)31(50-2)20-32(33)51-3/h2*5-8,11,18-20,25-26H,4,9-10,12-17,22-23H2,1-3H3,(H,41,47)/t2*37-/m11/s1.

What are the key properties of N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide?

N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide has a molecular weight of 1527.70 g/mol, XLogP of 5.36, 20 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-6-fluoro-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide;N-[(3S)-5-cyano-3-(2-ethoxy-3-pyridinyl)-1-(5-fluoro-2,4-dimethoxyphenyl)sulfonyl-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 126503761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).