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

C15H15NO3S — CID 96518342

IUPAC(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC[C@@H](O)c1cccs1)[C@H]1COc2ccccc21
InChIInChI=1S/C15H15NO3S/c17-12(14-6-3-7-20-14)8-16-15(18)11-9-19-13-5-2-1-4-10(11)13/h1-7,11-12,17H,8-9H2,(H,16,18)/t11-,12+/m0/s1
InChIKeyWZPFKQAKIIAFJB-NWDGAFQWSA-N
MW289.36 g/mol
LogP2.07
Rot. Bonds4

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

(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 96518342) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID96518342
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC[C@@H](O)c1cccs1)[C@H]1COc2ccccc21
InChIInChI=1S/C15H15NO3S/c17-12(14-6-3-7-20-14)8-16-15(18)11-9-19-13-5-2-1-4-10(11)13/h1-7,11-12,17H,8-9H2,(H,16,18)/t11-,12+/m0/s1
InChIKeyWZPFKQAKIIAFJB-NWDGAFQWSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95625892
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
N-[[3-(bromomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313112
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]cyclopropanecarboxamide
CID 113227942

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 96518342) is (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NC[C@@H](O)c1cccs1)[C@H]1COc2ccccc21.
What is the InChIKey of (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is WZPFKQAKIIAFJB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-12(14-6-3-7-20-14)8-16-15(18)11-9-19-13-5-2-1-4-10(11)13/h1-7,11-12,17H,8-9H2,(H,16,18)/t11-,12+/m0/s1.
What are the key properties of (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 96518342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).