(1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide

C28H37N5O6SSi — CID 153429930

About (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide

(1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide (PubChem CID 153429930) has the molecular formula C28H37N5O6SSi and a molecular weight of 599.79 g/mol. Its IUPAC name is (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide.

Molecular Properties

• Compound Name: (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide
• PubChem CID: 153429930
• Molecular Formula: C28H37N5O6SSi
• Molecular Weight: 599.79 g/mol
• Exact Mass: 599.22
• IUPAC Name: (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide
• SMILES: COc1cccc(OC)c1-n1c(-c2ccc(C)o2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@H](O)c1ccccn1
• InChI: InChI=1S/C28H37N5O6SSi/c1-19-14-15-24(39-19)27-30-31-28(33(27)25-22(37-3)12-10-13-23(25)38-4)32(17-18-41(5,6)7)40(35,36)20(2)26(34)21-11-8-9-16-29-21/h8-16,20,26,34H,17-18H2,1-7H3/t20-,26+/m1/s1
• InChIKey: ZQWNATHMEYBKBC-IBVKSMDESA-N
• XLogP: 4.84
• TPSA: 132.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.79
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide?

The IUPAC name of (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide (CID 153429930) is (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide.

What is the SMILES notation for (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide?

The canonical SMILES for (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide is COc1cccc(OC)c1-n1c(-c2ccc(C)o2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@H](O)c1ccccn1.

What is the InChIKey of (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide?

The InChIKey is ZQWNATHMEYBKBC-IBVKSMDESA-N. The full InChI is InChI=1S/C28H37N5O6SSi/c1-19-14-15-24(39-19)27-30-31-28(33(27)25-22(37-3)12-10-13-23(25)38-4)32(17-18-41(5,6)7)40(35,36)20(2)26(34)21-11-8-9-16-29-21/h8-16,20,26,34H,17-18H2,1-7H3/t20-,26+/m1/s1.

What are the key properties of (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide?

(1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide has a molecular weight of 599.79 g/mol, XLogP of 4.84, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1-hydroxy-1-pyridin-2-yl-N-(2-trimethylsilylethyl)propane-2-sulfonamide is sourced from PubChem (CID 153429930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).