N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

C11H11NO2S — CID 22891672

IUPACN-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C11H11NO2S/c1-12(14-2)11(13)10-7-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3
InChIKeyMEQIPDLJAVSERN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.53
Rot. Bonds2

About N-methoxy-N-methyl-1-benzothiophene-2-carboxamide

N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 22891672) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID22891672
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-methoxy-N-methyl-1-benzothiophene-2-carboxamide
SMILESCON(C)C(=O)c1cc2ccccc2s1
InChIInChI=1S/C11H11NO2S/c1-12(14-2)11(13)10-7-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3
InChIKeyMEQIPDLJAVSERN-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-N-methyl-1-benzothiophene-2-carboxamide 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

4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
6-[2-(2-formyl-1-benzothiophen-6-yl)phenyl]-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide;N-methoxy-N-methylmethanamine
CID 156750539
bis(1-benzothiophen-2-yl)methanone
CID 5330534
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 46591274
tert-butyl 2-(1-benzothiophen-2-yl)-2-oxoacetate
CID 102407716
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 134701529
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
CID 78804826
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
N-(2-chlorocyclohexyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 102638117

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CID 22891672) is N-methoxy-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is CON(C)C(=O)c1cc2ccccc2s1.
What is the InChIKey of N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is MEQIPDLJAVSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12(14-2)11(13)10-7-8-5-3-4-6-9(8)15-10/h3-7H,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
N-methoxy-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 22891672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).