N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C15H15NO3S — CID 164635754

IUPACN-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(N[C@@H](CO)c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C15H15NO3S/c17-8-13(11-5-7-20-9-11)16-15(18)12-3-1-2-10-4-6-19-14(10)12/h1-3,5,7,9,13,17H,4,6,8H2,(H,16,18)/t13-/m0/s1
InChIKeyGWIYXXYHGMMMQX-ZDUSSCGKSA-N
MW289.36 g/mol
LogP2.15
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 164635754) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID164635754
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(N[C@@H](CO)c1ccsc1)c1cccc2c1OCC2
InChIInChI=1S/C15H15NO3S/c17-8-13(11-5-7-20-9-11)16-15(18)12-3-1-2-10-4-6-19-14(10)12/h1-3,5,7,9,13,17H,4,6,8H2,(H,16,18)/t13-/m0/s1
InChIKeyGWIYXXYHGMMMQX-ZDUSSCGKSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2-methylbenzamide
CID 124854885
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635182
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
N-(5-aminopyrazin-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 154655443
N-[2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026432
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026801
2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
CID 119034175

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 164635754) is N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(N[C@@H](CO)c1ccsc1)c1cccc2c1OCC2.
What is the InChIKey of N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is GWIYXXYHGMMMQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-8-13(11-5-7-20-9-11)16-15(18)12-3-1-2-10-4-6-19-14(10)12/h1-3,5,7,9,13,17H,4,6,8H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 164635754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).