N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide

C15H17NO2S — CID 2971011

IUPACN-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCC(NC(=O)c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H17NO2S/c1-10(13-6-4-8-18-13)16-15(17)12-9-19-14-7-3-2-5-11(12)14/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,16,17)
InChIKeyVFJZHAMAJONNBG-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide

N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 2971011) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID2971011
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide
SMILESCC(NC(=O)c1csc2ccccc12)C1CCCO1
InChIInChI=1S/C15H17NO2S/c1-10(13-6-4-8-18-13)16-15(17)12-9-19-14-7-3-2-5-11(12)14/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,16,17)
InChIKeyVFJZHAMAJONNBG-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide (CID 2971011) is N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide is CC(NC(=O)c1csc2ccccc12)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is VFJZHAMAJONNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(13-6-4-8-18-13)16-15(17)12-9-19-14-7-3-2-5-11(12)14/h2-3,5,7,9-10,13H,4,6,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide?
N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2971011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).