N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide

C13H13NO2S — CID 87362441

IUPACN-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)Cc1csc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-9(16)14-11(7-15)6-10-8-17-13-5-3-2-4-12(10)13/h2-5,7-8,11H,6H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyFHCXAXJDUPODED-LLVKDONJSA-N
MW247.32 g/mol
LogP2.15
Rot. Bonds4

About N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide

N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide (PubChem CID 87362441) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
PubChem CID87362441
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)Cc1csc2ccccc12
InChIInChI=1S/C13H13NO2S/c1-9(16)14-11(7-15)6-10-8-17-13-5-3-2-4-12(10)13/h2-5,7-8,11H,6H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyFHCXAXJDUPODED-LLVKDONJSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
N-[(2S)-1-(1-benzothiophen-2-yl)-3-oxopropan-2-yl]acetamide
CID 22858851
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459
4-(1-benzothiophen-3-yl)-3-(iodoamino)butanoic acid
CID 166792223
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
(2R)-2-acetamido-3-(1-benzothiophen-3-ylmethylsulfinyl)propanoic acid
CID 107775480
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
6-(1-benzothiophen-3-yl)hexane-2,3,5-trione
CID 59961659
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxobutan-2-yl]-1-(9H-fluoren-9-ylmethyliodanuidyl)formamide
CID 163641377

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide (CID 87362441) is N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C=O)Cc1csc2ccccc12.
What is the InChIKey of N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide?
The InChIKey is FHCXAXJDUPODED-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9(16)14-11(7-15)6-10-8-17-13-5-3-2-4-12(10)13/h2-5,7-8,11H,6H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide?
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide is sourced from PubChem (CID 87362441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).