5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C16H23NO2S — CID 6467856

IUPAC5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NC(C)C3CCCO3)cc2C1
InChIInChI=1S/C16H23NO2S/c1-10-5-6-14-12(8-10)9-15(20-14)16(18)17-11(2)13-4-3-7-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyHXSXBZNWZFTCMS-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.17
Rot. Bonds3

About 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 6467856) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID6467856
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)NC(C)C3CCCO3)cc2C1
InChIInChI=1S/C16H23NO2S/c1-10-5-6-14-12(8-10)9-15(20-14)16(18)17-11(2)13-4-3-7-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyHXSXBZNWZFTCMS-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 6467856) is 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)NC(C)C3CCCO3)cc2C1.
What is the InChIKey of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is HXSXBZNWZFTCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10-5-6-14-12(8-10)9-15(20-14)16(18)17-11(2)13-4-3-7-19-13/h9-11,13H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 6467856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).