N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide

C13H15NO3S — CID 60682166

IUPACN-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc2ccccc2s1)OC
InChIInChI=1S/C13H15NO3S/c1-16-12(17-2)8-14-13(15)11-7-9-5-3-4-6-10(9)18-11/h3-7,12H,8H2,1-2H3,(H,14,15)
InChIKeySUUOWVZKRQZCRI-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.25
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide

N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide (PubChem CID 60682166) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
PubChem CID60682166
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC NameN-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
SMILESCOC(CNC(=O)c1cc2ccccc2s1)OC
InChIInChI=1S/C13H15NO3S/c1-16-12(17-2)8-14-13(15)11-7-9-5-3-4-6-10(9)18-11/h3-7,12H,8H2,1-2H3,(H,14,15)
InChIKeySUUOWVZKRQZCRI-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide (CID 60682166) is N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide is COC(CNC(=O)c1cc2ccccc2s1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is SUUOWVZKRQZCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-16-12(17-2)8-14-13(15)11-7-9-5-3-4-6-10(9)18-11/h3-7,12H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide?
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60682166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).