1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C36H39N3O5S2Si — CID 140925124

About 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 140925124) has the molecular formula C36H39N3O5S2Si and a molecular weight of 685.94 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

• Compound Name: 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
• PubChem CID: 140925124
• Molecular Formula: C36H39N3O5S2Si
• Molecular Weight: 685.94 g/mol
• Exact Mass: 685.21
• IUPAC Name: 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
• SMILES: COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)CCC3O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c1
• InChI: InChI=1S/C36H39N3O5S2Si/c1-36(2,3)47(30-12-8-6-9-13-30,31-14-10-7-11-15-31)44-33-21-17-26-22-29(19-20-32(26)33)46(40,41)39(35-37-25-38-45-35)24-27-16-18-28(42-4)23-34(27)43-5/h6-16,18-20,22-23,25,33H,17,21,24H2,1-5H3
• InChIKey: NWSLJCRUYMBKIM-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 90.85 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.94
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?

The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 140925124) is 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?

The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(c2)CCC3O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(OC)c1.

What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?

The InChIKey is NWSLJCRUYMBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N3O5S2Si/c1-36(2,3)47(30-12-8-6-9-13-30,31-14-10-7-11-15-31)44-33-21-17-26-22-29(19-20-32(26)33)46(40,41)39(35-37-25-38-45-35)24-27-16-18-28(42-4)23-34(27)43-5/h6-16,18-20,22-23,25,33H,17,21,24H2,1-5H3.

What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?

1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 685.94 g/mol, XLogP of 6.51, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[tert-butyl(diphenyl)silyl]oxy-N-[(2,4-dimethoxyphenyl)methyl]-N-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 140925124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).