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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Related Compounds

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 2853923
N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
5-Ethyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
N-(2-methoxyethyl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 1634749
3-chloro-6-methyl-N-(tetrahydro-2-furanylmethyl)-1-benzothiophene-2-carboxamide
CID 2878759
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-phenyl-methyl)-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3211236
Thiophene-2-carboxylic acid {[[(1,1-dimethyl-propylcarbamoyl)-p-tolyl-methyl]-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-amide
CID 3215809
Thiophene-2-carboxylic acid [((4-methyl-benzyl)-{phenyl-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-carbamoyl)-methyl]-amide
CID 3215855
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
5-Methyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191141
N-[(2S)-1-oxo-1-[(4-oxooxolan-3-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide
CID 44302170

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).