sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate

C29H32N3NaO8S2 — CID 20786362

About sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate

sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate (PubChem CID 20786362) has the molecular formula C29H32N3NaO8S2 and a molecular weight of 637.71 g/mol. Its IUPAC name is sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate.

Molecular Properties

• Compound Name: sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate
• PubChem CID: 20786362
• Molecular Formula: C29H32N3NaO8S2
• Molecular Weight: 637.71 g/mol
• Exact Mass: 637.15
• IUPAC Name: sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate
• SMILES: COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1c(C)cc(OCC(=O)[O-])cc1C(C)C.[Na+]
• InChI: InChI=1S/C29H33N3O8S2.Na/c1-16(2)22-11-21(40-14-26(33)34)10-17(3)28(22)42(36,37)32-25-9-8-20(38-6)12-23(25)31-29(32)41(35)15-24-19(5)27(39-7)18(4)13-30-24;/h8-13,16H,14-15H2,1-7H3,(H,33,34);/q;+1/p-1
• InChIKey: VRDNOPLGMMPUFI-UHFFFAOYSA-M
• XLogP: 0.17
• TPSA: 149.74 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.71
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate?

The IUPAC name of sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate (CID 20786362) is sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate.

What is the SMILES notation for sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate?

The canonical SMILES for sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate is COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1c(C)cc(OCC(=O)[O-])cc1C(C)C.[Na+].

What is the InChIKey of sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate?

The InChIKey is VRDNOPLGMMPUFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H33N3O8S2.Na/c1-16(2)22-11-21(40-14-26(33)34)10-17(3)28(22)42(36,37)32-25-9-8-20(38-6)12-23(25)31-29(32)41(35)15-24-19(5)27(39-7)18(4)13-30-24;/h8-13,16H,14-15H2,1-7H3,(H,33,34);/q;+1/p-1.

What are the key properties of sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate?

sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate has a molecular weight of 637.71 g/mol, XLogP of 0.17, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate is sourced from PubChem (CID 20786362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).