1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea

C28H42FN3O4SSi — CID 166511703

About 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea

1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea (PubChem CID 166511703) has the molecular formula C28H42FN3O4SSi and a molecular weight of 563.81 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea.

Molecular Properties

• Compound Name: 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea
• PubChem CID: 166511703
• Molecular Formula: C28H42FN3O4SSi
• Molecular Weight: 563.81 g/mol
• Exact Mass: 563.26
• IUPAC Name: 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea
• SMILES: [H]N=S(=O)(c1cc(C(C)(C)O)co1)N(C(=O)Nc1c(C(C)C2CC2)cc(F)c2c1CCC2)[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H42FN3O4SSi/c1-17(18-12-13-18)22-15-23(29)20-10-9-11-21(20)25(22)31-26(33)32(38(7,8)27(2,3)4)37(30,35)24-14-19(16-36-24)28(5,6)34/h14-18,30,34H,9-13H2,1-8H3,(H,31,33)
• InChIKey: BPMJYOOORRNPKC-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 106.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.81
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea?

The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea (CID 166511703) is 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea.

What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea?

The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea is [H]N=S(=O)(c1cc(C(C)(C)O)co1)N(C(=O)Nc1c(C(C)C2CC2)cc(F)c2c1CCC2)[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea?

The InChIKey is BPMJYOOORRNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FN3O4SSi/c1-17(18-12-13-18)22-15-23(29)20-10-9-11-21(20)25(22)31-26(33)32(38(7,8)27(2,3)4)37(30,35)24-14-19(16-36-24)28(5,6)34/h14-18,30,34H,9-13H2,1-8H3,(H,31,33).

What are the key properties of 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea?

1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea has a molecular weight of 563.81 g/mol, XLogP of 7.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[tert-butyl(dimethyl)silyl]-3-[5-(1-cyclopropylethyl)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-1-[[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonimidoyl]urea is sourced from PubChem (CID 166511703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).