N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide

C14H19NOSSi — CID 22071491

IUPACN-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide
SMILESCCNC(=O)c1c([Si](C)(C)C)ccc2sccc12
InChIInChI=1S/C14H19NOSSi/c1-5-15-14(16)13-10-8-9-17-11(10)6-7-12(13)18(2,3)4/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyJHVDTGYNZXKIQQ-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.20
Rot. Bonds3

About N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide

N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide (PubChem CID 22071491) has the molecular formula C14H19NOSSi and a molecular weight of 277.47 g/mol. Its IUPAC name is N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide
PubChem CID22071491
Molecular FormulaC14H19NOSSi
Molecular Weight277.47 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide
SMILESCCNC(=O)c1c([Si](C)(C)C)ccc2sccc12
InChIInChI=1S/C14H19NOSSi/c1-5-15-14(16)13-10-8-9-17-11(10)6-7-12(13)18(2,3)4/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyJHVDTGYNZXKIQQ-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide?
The IUPAC name of N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide (CID 22071491) is N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide is CCNC(=O)c1c([Si](C)(C)C)ccc2sccc12.
What is the InChIKey of N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide?
The InChIKey is JHVDTGYNZXKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSSi/c1-5-15-14(16)13-10-8-9-17-11(10)6-7-12(13)18(2,3)4/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide?
N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide has a molecular weight of 277.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-trimethylsilyl-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 22071491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).