N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide

C13H15NO2S — CID 115139367

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1csc2ccccc12
InChIInChI=1S/C13H15NO2S/c15-8-6-13(16)14-7-5-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,15H,5-8H2,(H,14,16)
InChIKeyQDDBBULCMDKWFO-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide

N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide (PubChem CID 115139367) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
PubChem CID115139367
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1csc2ccccc12
InChIInChI=1S/C13H15NO2S/c15-8-6-13(16)14-7-5-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,15H,5-8H2,(H,14,16)
InChIKeyQDDBBULCMDKWFO-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 112836932
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide (CID 115139367) is N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide is O=C(CCO)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide?
The InChIKey is QDDBBULCMDKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-8-6-13(16)14-7-5-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,15H,5-8H2,(H,14,16).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide has a molecular weight of 249.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).