N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide

C12H15NO3S2 — CID 71973593

IUPACN-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C12H15NO3S2/c1-9-12(18(14,15)13-7-8-16-2)10-5-3-4-6-11(10)17-9/h3-6,13H,7-8H2,1-2H3
InChIKeyXUHZSQDDEGQFFB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.13
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide

N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide (PubChem CID 71973593) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide
PubChem CID71973593
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC NameN-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1c(C)sc2ccccc12
InChIInChI=1S/C12H15NO3S2/c1-9-12(18(14,15)13-7-8-16-2)10-5-3-4-6-11(10)17-9/h3-6,13H,7-8H2,1-2H3
InChIKeyXUHZSQDDEGQFFB-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide (CID 71973593) is N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide is COCCNS(=O)(=O)c1c(C)sc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide?
The InChIKey is XUHZSQDDEGQFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S2/c1-9-12(18(14,15)13-7-8-16-2)10-5-3-4-6-11(10)17-9/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide?
N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71973593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).