N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide

C32H32N6O8S — CID 118175372

About N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide (PubChem CID 118175372) has the molecular formula C32H32N6O8S and a molecular weight of 660.71 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide
• PubChem CID: 118175372
• Molecular Formula: C32H32N6O8S
• Molecular Weight: 660.71 g/mol
• Exact Mass: 660.20
• IUPAC Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2C(=O)C(NC(=O)N3CC(N4CCC(=O)CC4)C3)(c3cccnc3OC)c3cc(C#N)ccc32)c(OC)c1
• InChI: InChI=1S/C32H32N6O8S/c1-44-23-7-9-28(27(16-23)45-2)47(42,43)38-26-8-6-20(17-33)15-25(26)32(30(38)40,24-5-4-12-34-29(24)46-3)35-31(41)37-18-21(19-37)36-13-10-22(39)11-14-36/h4-9,12,15-16,21H,10-11,13-14,18-19H2,1-3H3,(H,35,41)
• InChIKey: RRLOJMPOXYCIJF-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 171.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.71
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide?

The IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide (CID 118175372) is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide is COc1ccc(S(=O)(=O)N2C(=O)C(NC(=O)N3CC(N4CCC(=O)CC4)C3)(c3cccnc3OC)c3cc(C#N)ccc32)c(OC)c1.

What is the InChIKey of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide?

The InChIKey is RRLOJMPOXYCIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O8S/c1-44-23-7-9-28(27(16-23)45-2)47(42,43)38-26-8-6-20(17-33)15-25(26)32(30(38)40,24-5-4-12-34-29(24)46-3)35-31(41)37-18-21(19-37)36-13-10-22(39)11-14-36/h4-9,12,15-16,21H,10-11,13-14,18-19H2,1-3H3,(H,35,41).

What are the key properties of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide?

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide has a molecular weight of 660.71 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 118175372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).