N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H17NO2S — CID 103772752

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C17H17NO2S/c19-11-14(12-6-2-1-3-7-12)18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-9,14,16,19H,10-11H2,(H,18,20)/t14-,16?/m0/s1
InChIKeyQZMJFJMXGKMCTI-LBAUFKAWSA-N
MW299.39 g/mol
LogP2.55
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 103772752) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID103772752
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)C1Cc2ccccc2S1
InChIInChI=1S/C17H17NO2S/c19-11-14(12-6-2-1-3-7-12)18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-9,14,16,19H,10-11H2,(H,18,20)/t14-,16?/m0/s1
InChIKeyQZMJFJMXGKMCTI-LBAUFKAWSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18138361
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate
CID 43409716
N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42938008
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid
CID 43354086
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylpentanoic acid
CID 43171234
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxybutanoic acid
CID 43170318
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 43500635
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114155388
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 106355848
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 103772752) is N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(N[C@@H](CO)c1ccccc1)C1Cc2ccccc2S1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QZMJFJMXGKMCTI-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-11-14(12-6-2-1-3-7-12)18-17(20)16-10-13-8-4-5-9-15(13)21-16/h1-9,14,16,19H,10-11H2,(H,18,20)/t14-,16?/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 299.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 103772752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).