N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide

C15H15NO2S — CID 110751628

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1COc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-15(8-7-11-4-3-9-19-11)16-13-10-18-14-6-2-1-5-12(13)14/h1-6,9,13H,7-8,10H2,(H,16,17)
InChIKeyCOIRBNLJZCLZPR-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.93
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide

N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide (PubChem CID 110751628) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
PubChem CID110751628
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NC1COc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-15(8-7-11-4-3-9-19-11)16-13-10-18-14-6-2-1-5-12(13)14/h1-6,9,13H,7-8,10H2,(H,16,17)
InChIKeyCOIRBNLJZCLZPR-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 97003504
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209434
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide (CID 110751628) is N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is COIRBNLJZCLZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(8-7-11-4-3-9-19-11)16-13-10-18-14-6-2-1-5-12(13)14/h1-6,9,13H,7-8,10H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 273.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110751628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).