3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide

C17H19NO2S — CID 53352132

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(18-9-7-15-2-1-11-21-15)6-4-13-3-5-16-14(12-13)8-10-20-16/h1-3,5,11-12H,4,6-10H2,(H,18,19)
InChIKeyWAMDKICNFZXPIA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.97
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 53352132) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID53352132
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(18-9-7-15-2-1-11-21-15)6-4-13-3-5-16-14(12-13)8-10-20-16/h1-3,5,11-12H,4,6-10H2,(H,18,19)
InChIKeyWAMDKICNFZXPIA-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9127256
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]thiophene-2-carboxamide
CID 110792361
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9127313
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 71754922
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 119041803
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 53352132) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCc1ccc2c(c1)CCO2)NCCc1cccs1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is WAMDKICNFZXPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(18-9-7-15-2-1-11-21-15)6-4-13-3-5-16-14(12-13)8-10-20-16/h1-3,5,11-12H,4,6-10H2,(H,18,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 301.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 53352132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).