5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C16H23NO2S — CID 17191117

IUPAC5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCC3CCCO3)cc2C1
InChIInChI=1S/C16H23NO2S/c1-2-11-5-6-14-12(8-11)9-15(20-14)16(18)17-10-13-4-3-7-19-13/h9,11,13H,2-8,10H2,1H3,(H,17,18)
InChIKeyYISPGWPXTZELSV-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.17
Rot. Bonds4

About 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 17191117) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID17191117
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NCC3CCCO3)cc2C1
InChIInChI=1S/C16H23NO2S/c1-2-11-5-6-14-12(8-11)9-15(20-14)16(18)17-10-13-4-3-7-19-13/h9,11,13H,2-8,10H2,1H3,(H,17,18)
InChIKeyYISPGWPXTZELSV-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4107004
1-[(5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 16554084
N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
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-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-2-carboxamide
CID 25163640
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 6467856
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294
4,5-dimethyl-N-(tetrahydrofuran-2-ylmethyl)thiophene-2-carboxamide
CID 19585414
4-ethyl-5-methyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 24684648

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 17191117) is 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCC1CCc2sc(C(=O)NCC3CCCO3)cc2C1.
What is the InChIKey of 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is YISPGWPXTZELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-11-5-6-14-12(8-11)9-15(20-14)16(18)17-10-13-4-3-7-19-13/h9,11,13H,2-8,10H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 293.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17191117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).