1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine

C26H28N8O4S4Si — CID 10628255

IUPAC1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine
SMILES[H]/N=C(\N)N([Si](C)(C)N(/C(N)=N/[H])S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1)S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C26H28N8O4S4Si/c1-43(2,33(25(27)28)41(35,36)23-11-7-19(8-12-23)31-17-21-5-3-15-39-21)34(26(29)30)42(37,38)24-13-9-20(10-14-24)32-18-22-6-4-16-40-22/h3-18H,1-2H3,(H3,27,28)(H3,29,30)/b31-17+,32-18+
InChIKeyQYDYAUAENVBOKN-LTTYKRRRSA-N
MW672.92 g/mol
LogP4.48
Rot. Bonds10

About 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine

1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine (PubChem CID 10628255) has the molecular formula C26H28N8O4S4Si and a molecular weight of 672.92 g/mol. Its IUPAC name is 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine.

Molecular Properties

Compound Name1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine
PubChem CID10628255
Molecular FormulaC26H28N8O4S4Si
Molecular Weight672.92 g/mol
Exact Mass672.09
IUPAC Name1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine
SMILES[H]/N=C(\N)N([Si](C)(C)N(/C(N)=N/[H])S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1)S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C26H28N8O4S4Si/c1-43(2,33(25(27)28)41(35,36)23-11-7-19(8-12-23)31-17-21-5-3-15-39-21)34(26(29)30)42(37,38)24-13-9-20(10-14-24)32-18-22-6-4-16-40-22/h3-18H,1-2H3,(H3,27,28)(H3,29,30)/b31-17+,32-18+
InChIKeyQYDYAUAENVBOKN-LTTYKRRRSA-N
XLogP4.48
TPSA199.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.92
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine?
The IUPAC name of 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine (CID 10628255) is 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine.
What is the SMILES notation for 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine?
The canonical SMILES for 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine is [H]/N=C(\N)N([Si](C)(C)N(/C(N)=N/[H])S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1)S(=O)(=O)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine?
The InChIKey is QYDYAUAENVBOKN-LTTYKRRRSA-N. The full InChI is InChI=1S/C26H28N8O4S4Si/c1-43(2,33(25(27)28)41(35,36)23-11-7-19(8-12-23)31-17-21-5-3-15-39-21)34(26(29)30)42(37,38)24-13-9-20(10-14-24)32-18-22-6-4-16-40-22/h3-18H,1-2H3,(H3,27,28)(H3,29,30)/b31-17+,32-18+.
What are the key properties of 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine?
1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine has a molecular weight of 672.92 g/mol, XLogP of 4.48, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[carbamimidoyl-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylamino]-dimethylsilyl]-1-[4-(thiophen-2-ylmethylideneamino)phenyl]sulfonylguanidine is sourced from PubChem (CID 10628255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).