N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide

C40H47N7O8S — CID 118175353

About N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide (PubChem CID 118175353) has the molecular formula C40H47N7O8S and a molecular weight of 785.92 g/mol. Its IUPAC name is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide
• PubChem CID: 118175353
• Molecular Formula: C40H47N7O8S
• Molecular Weight: 785.92 g/mol
• Exact Mass: 785.32
• IUPAC Name: N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide
• SMILES: CCOc1ncccc1C1(NC(=O)N2CC(N3CCC(N4CCC5(CC4)COC5)CC3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
• InChI: InChI=1S/C40H47N7O8S/c1-4-55-36-31(6-5-15-42-36)40(43-38(49)46-23-29(24-46)44-16-11-28(12-17-44)45-18-13-39(14-19-45)25-54-26-39)32-20-27(22-41)7-9-33(32)47(37(40)48)56(50,51)35-10-8-30(52-2)21-34(35)53-3/h5-10,15,20-21,28-29H,4,11-14,16-19,23-26H2,1-3H3,(H,43,49)
• InChIKey: NIHUAVNJYSQGAY-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 166.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.92
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide?

The IUPAC name of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide (CID 118175353) is N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CC(N3CCC(N4CCC5(CC4)COC5)CC3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21.

What is the InChIKey of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide?

The InChIKey is NIHUAVNJYSQGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47N7O8S/c1-4-55-36-31(6-5-15-42-36)40(43-38(49)46-23-29(24-46)44-16-11-28(12-17-44)45-18-13-39(14-19-45)25-54-26-39)32-20-27(22-41)7-9-33(32)47(37(40)48)56(50,51)35-10-8-30(52-2)21-34(35)53-3/h5-10,15,20-21,28-29H,4,11-14,16-19,23-26H2,1-3H3,(H,43,49).

What are the key properties of N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide?

N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide has a molecular weight of 785.92 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 118175353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).