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

C15H15NO2S — CID 37006047

IUPAC(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccs1
InChIInChI=1S/C15H15NO2S/c1-10(14-7-4-8-19-14)16-15(17)13-9-11-5-2-3-6-12(11)18-13/h2-8,10,13H,9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyJOJNFRBEPIBZDH-ZWNOBZJWSA-N
MW273.36 g/mol
LogP2.93
Rot. Bonds3

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

(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37006047) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37006047
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccs1
InChIInChI=1S/C15H15NO2S/c1-10(14-7-4-8-19-14)16-15(17)13-9-11-5-2-3-6-12(11)18-13/h2-8,10,13H,9H2,1H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyJOJNFRBEPIBZDH-ZWNOBZJWSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-oxo-N-(1-thiophen-2-ylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 5262609
(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39612398
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43534409
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688785
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37462398
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55961284
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37006047) is (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccs1.
What is the InChIKey of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JOJNFRBEPIBZDH-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10(14-7-4-8-19-14)16-15(17)13-9-11-5-2-3-6-12(11)18-13/h2-8,10,13H,9H2,1H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37006047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).