2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide

C14H15NO2S — CID 23518976

IUPAC2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c1-15(17-2)14(16)11-7-10(11)12-8-18-13-6-4-3-5-9(12)13/h3-6,8,10-11H,7H2,1-2H3
InChIKeyAPBHUHOUZIQHDE-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.02
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide

2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 23518976) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID23518976
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1CC1c1csc2ccccc12
InChIInChI=1S/C14H15NO2S/c1-15(17-2)14(16)11-7-10(11)12-8-18-13-6-4-3-5-9(12)13/h3-6,8,10-11H,7H2,1-2H3
InChIKeyAPBHUHOUZIQHDE-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Benzo[b]thiophen-2-yl-N-hydroxy-N-methyl-propionamide
CID 10847360
2-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)acetamide
CID 342599
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
(1S,2R,3R)-2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 134845661
Benzothiophene-3-propanamide
CID 58171156
6-Fluoro-N,3-dimethyl-N-(methyloxy)-1-benzothiophene-2-carboxamide
CID 58917900
1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide
CID 171510220
2-fluoro-N-methoxy-N-methyl-3-thiophen-2-ylcyclopropane-1-carboxamide
CID 174828930
2-(4-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide
CID 176716330
2-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylacetamide
CID 176716331
2-(1-benzothiophen-3-yl)-N-methylacetamide
CID 12547404
N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 23548867

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 23518976) is 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1CC1c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is APBHUHOUZIQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(17-2)14(16)11-7-10(11)12-8-18-13-6-4-3-5-9(12)13/h3-6,8,10-11H,7H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 23518976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).