(2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide

C28H43N5O6SSi — CID 140771344

About (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide

(2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide (PubChem CID 140771344) has the molecular formula C28H43N5O6SSi and a molecular weight of 605.83 g/mol. Its IUPAC name is (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide.

Molecular Properties

• Compound Name: (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide
• PubChem CID: 140771344
• Molecular Formula: C28H43N5O6SSi
• Molecular Weight: 605.83 g/mol
• Exact Mass: 605.27
• IUPAC Name: (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide
• SMILES: COc1cccc(-c2nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n2-c2c(OC)cccc2OC)n1
• InChI: InChI=1S/C28H43N5O6SSi/c1-19(25(34)28(2,3)4)40(35,36)32(17-18-41(8,9)10)27-31-30-26(20-13-11-16-23(29-20)39-7)33(27)24-21(37-5)14-12-15-22(24)38-6/h11-16,19,25,34H,17-18H2,1-10H3/t19-,25-/m1/s1
• InChIKey: SAYFYNBUIYUUIF-KBMIEXCESA-N
• XLogP: 4.62
• TPSA: 128.90 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	605.83
LogP ≤ 5	4.62
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 (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide?

The IUPAC name of (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide (CID 140771344) is (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide.

What is the SMILES notation for (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide?

The canonical SMILES for (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide is COc1cccc(-c2nnc(N(CC[Si](C)(C)C)S(=O)(=O)[C@H](C)[C@@H](O)C(C)(C)C)n2-c2c(OC)cccc2OC)n1.

What is the InChIKey of (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide?

The InChIKey is SAYFYNBUIYUUIF-KBMIEXCESA-N. The full InChI is InChI=1S/C28H43N5O6SSi/c1-19(25(34)28(2,3)4)40(35,36)32(17-18-41(8,9)10)27-31-30-26(20-13-11-16-23(29-20)39-7)33(27)24-21(37-5)14-12-15-22(24)38-6/h11-16,19,25,34H,17-18H2,1-10H3/t19-,25-/m1/s1.

What are the key properties of (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide?

(2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide has a molecular weight of 605.83 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-1,2,4-triazol-3-yl]-3-hydroxy-4,4-dimethyl-N-(2-trimethylsilylethyl)pentane-2-sulfonamide is sourced from PubChem (CID 140771344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).