N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide

C16H23NOSSi — CID 19602335

IUPACN,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c([Si](C)(C)C)sc2ccccc12
InChIInChI=1S/C16H23NOSSi/c1-6-17(7-2)15(18)14-12-10-8-9-11-13(12)19-16(14)20(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyWWJOWJVZJPGVLA-UHFFFAOYSA-N
MW305.52 g/mol
LogP3.93
Rot. Bonds4

About N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide

N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide (PubChem CID 19602335) has the molecular formula C16H23NOSSi and a molecular weight of 305.52 g/mol. Its IUPAC name is N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide
PubChem CID19602335
Molecular FormulaC16H23NOSSi
Molecular Weight305.52 g/mol
Exact Mass305.13
IUPAC NameN,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c([Si](C)(C)C)sc2ccccc12
InChIInChI=1S/C16H23NOSSi/c1-6-17(7-2)15(18)14-12-10-8-9-11-13(12)19-16(14)20(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyWWJOWJVZJPGVLA-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
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,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide (CID 19602335) is N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide is CCN(CC)C(=O)c1c([Si](C)(C)C)sc2ccccc12.
What is the InChIKey of N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide?
The InChIKey is WWJOWJVZJPGVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOSSi/c1-6-17(7-2)15(18)14-12-10-8-9-11-13(12)19-16(14)20(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide?
N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide has a molecular weight of 305.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-trimethylsilyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 19602335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).