N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide

C13H15NO2S — CID 99979783

IUPACN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@](C)(O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-9(15)14-8-13(2,16)12-7-10-5-3-4-6-11(10)17-12/h3-7,16H,8H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyDZZOPOGCYYBIGO-ZDUSSCGKSA-N
MW249.34 g/mol
LogP2.24
Rot. Bonds3

About N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide (PubChem CID 99979783) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
PubChem CID99979783
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide
SMILESCC(=O)NC[C@](C)(O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-9(15)14-8-13(2,16)12-7-10-5-3-4-6-11(10)17-12/h3-7,16H,8H2,1-2H3,(H,14,15)/t13-/m0/s1
InChIKeyDZZOPOGCYYBIGO-ZDUSSCGKSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 99979795
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-naphthalen-1-ylacetamide
CID 99980052
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
CID 99979902
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 86263942
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 99980288
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-phenylsulfanylpropanamide
CID 86263964
1-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 99980805
1-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 99980785
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
N'-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86264041
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]ethanesulfonamide
CID 99980295
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-ethylsulfanylbenzamide
CID 99980030

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide?
The IUPAC name of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide (CID 99979783) is N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide is CC(=O)NC[C@](C)(O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide?
The InChIKey is DZZOPOGCYYBIGO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9(15)14-8-13(2,16)12-7-10-5-3-4-6-11(10)17-12/h3-7,16H,8H2,1-2H3,(H,14,15)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide?
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide has a molecular weight of 249.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 99979783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).