N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide

C16H19NOS — CID 121023406

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
SMILESCC(Cc1csc2ccccc12)NC(=O)CC1CC1
InChIInChI=1S/C16H19NOS/c1-11(17-16(18)9-12-6-7-12)8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-12H,6-9H2,1H3,(H,17,18)
InChIKeyJSBYVCWSTASIOX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide (PubChem CID 121023406) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
PubChem CID121023406
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
SMILESCC(Cc1csc2ccccc12)NC(=O)CC1CC1
InChIInChI=1S/C16H19NOS/c1-11(17-16(18)9-12-6-7-12)8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-12H,6-9H2,1H3,(H,17,18)
InChIKeyJSBYVCWSTASIOX-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide 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

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
CID 119106153
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 171136942
N-[(2S)-1-(1-benzothiophen-3-yl)propan-2-yl]piperidine-4-carboxamide;ethane;N-(formamidomethyl)formamide;1-methylnaphthalene
CID 143400485

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide (CID 121023406) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide is CC(Cc1csc2ccccc12)NC(=O)CC1CC1.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide?
The InChIKey is JSBYVCWSTASIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11(17-16(18)9-12-6-7-12)8-13-10-19-15-5-3-2-4-14(13)15/h2-5,10-12H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide has a molecular weight of 273.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 121023406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).