N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide

C17H15NO2S — CID 100724295

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2S/c19-15(10-18-17(20)12-6-2-1-3-7-12)14-11-21-16-9-5-4-8-13(14)16/h1-9,11,15,19H,10H2,(H,18,20)/t15-/m0/s1
InChIKeyHJPHGKGLZGHSHC-HNNXBMFYSA-N
MW297.38 g/mol
LogP3.36
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide (PubChem CID 100724295) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
PubChem CID100724295
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15NO2S/c19-15(10-18-17(20)12-6-2-1-3-7-12)14-11-21-16-9-5-4-8-13(14)16/h1-9,11,15,19H,10H2,(H,18,20)/t15-/m0/s1
InChIKeyHJPHGKGLZGHSHC-HNNXBMFYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,6-difluorobenzamide
CID 100724458
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 100724264
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-methyl-3-nitrobenzamide
CID 121179411
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide (CID 100724295) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide is O=C(NC[C@H](O)c1csc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide?
The InChIKey is HJPHGKGLZGHSHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-15(10-18-17(20)12-6-2-1-3-7-12)14-11-21-16-9-5-4-8-13(14)16/h1-9,11,15,19H,10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 100724295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).