benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate

C18H14N2O2S2Se — CID 51032937

IUPACbenzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1cccs1)[Se]Cc1ccccc1)c1cccs1
InChIInChI=1S/C18H14N2O2S2Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22)
InChIKeyYFXBBOVMRSEVMM-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.64
Rot. Bonds5

About benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate

benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate (PubChem CID 51032937) has the molecular formula C18H14N2O2S2Se and a molecular weight of 433.42 g/mol. Its IUPAC name is benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate.

Molecular Properties

Compound Namebenzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate
PubChem CID51032937
Molecular FormulaC18H14N2O2S2Se
Molecular Weight433.42 g/mol
Exact Mass433.97
IUPAC Namebenzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate
SMILESO=C(/N=C(\NC(=O)c1cccs1)[Se]Cc1ccccc1)c1cccs1
InChIInChI=1S/C18H14N2O2S2Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22)
InChIKeyYFXBBOVMRSEVMM-UHFFFAOYSA-N
XLogP3.64
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate?
The IUPAC name of benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate (CID 51032937) is benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate.
What is the SMILES notation for benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate?
The canonical SMILES for benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate is O=C(/N=C(\NC(=O)c1cccs1)[Se]Cc1ccccc1)c1cccs1.
What is the InChIKey of benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate?
The InChIKey is YFXBBOVMRSEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2Se/c21-16(14-8-4-10-23-14)19-18(20-17(22)15-9-5-11-24-15)25-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,20,21,22).
What are the key properties of benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate?
benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate has a molecular weight of 433.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N'-bis(thiophene-2-carbonyl)carbamimidoselenoate is sourced from PubChem (CID 51032937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).