(E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide

C54H66F2N12O10S2Si2 — CID 158418040

About (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide

(E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide (PubChem CID 158418040) has the molecular formula C54H66F2N12O10S2Si2 and a molecular weight of 1201.50 g/mol. Its IUPAC name is (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide.

Molecular Properties

• Compound Name: (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide
• PubChem CID: 158418040
• Molecular Formula: C54H66F2N12O10S2Si2
• Molecular Weight: 1201.50 g/mol
• Exact Mass: 1200.40
• IUPAC Name: (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide
• SMILES: COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)/C(C)=C(/C)c1ncc(F)cn1.COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)/C(C)=C(\C)c1ncc(F)cn1
• InChI: InChI=1S/2C27H33FN6O5SSi/c2*1-18(25-29-16-20(28)17-30-25)19(2)40(35,36)33(13-15-41(5,6)7)27-32-31-26(23-12-9-14-39-23)34(27)24-21(37-3)10-8-11-22(24)38-4/h2*8-12,14,16-17H,13,15H2,1-7H3/b19-18+;19-18-
• InChIKey: HADLNVSBABTFTK-APBROFFCSA-N
• XLogP: 10.80
• TPSA: 250.94 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.50
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide?

The IUPAC name of (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide (CID 158418040) is (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide.

What is the SMILES notation for (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide?

The canonical SMILES for (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide is COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)/C(C)=C(/C)c1ncc(F)cn1.COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CC[Si](C)(C)C)S(=O)(=O)/C(C)=C(\C)c1ncc(F)cn1.

What is the InChIKey of (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide?

The InChIKey is HADLNVSBABTFTK-APBROFFCSA-N. The full InChI is InChI=1S/2C27H33FN6O5SSi/c2*1-18(25-29-16-20(28)17-30-25)19(2)40(35,36)33(13-15-41(5,6)7)27-32-31-26(23-12-9-14-39-23)34(27)24-21(37-3)10-8-11-22(24)38-4/h2*8-12,14,16-17H,13,15H2,1-7H3/b19-18+;19-18-.

What are the key properties of (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide?

(E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide has a molecular weight of 1201.50 g/mol, XLogP of 10.80, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide;(Z)-N-[4-(2,6-dimethoxyphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-N-(2-trimethylsilylethyl)but-2-ene-2-sulfonamide is sourced from PubChem (CID 158418040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).