N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide

C15H17NO2S — CID 86923897

IUPACN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC1CCCc2occc21
InChIInChI=1S/C15H17NO2S/c17-15(5-4-11-7-9-19-10-11)16-13-2-1-3-14-12(13)6-8-18-14/h6-10,13H,1-5H2,(H,16,17)
InChIKeyGGPYKDVNAOCORC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.47
Rot. Bonds4

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide (PubChem CID 86923897) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
PubChem CID86923897
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NC1CCCc2occc21
InChIInChI=1S/C15H17NO2S/c17-15(5-4-11-7-9-19-10-11)16-13-2-1-3-14-12(13)6-8-18-14/h6-10,13H,1-5H2,(H,16,17)
InChIKeyGGPYKDVNAOCORC-UHFFFAOYSA-N
XLogP3.47
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide (CID 86923897) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NC1CCCc2occc21.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is GGPYKDVNAOCORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(5-4-11-7-9-19-10-11)16-13-2-1-3-14-12(13)6-8-18-14/h6-10,13H,1-5H2,(H,16,17).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide?
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 275.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 86923897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).