5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide

C11H13N3O3S2 — CID 61093849

IUPAC5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCS(N)(=O)=O)cc2c1
InChIInChI=1S/C11H13N3O3S2/c12-8-1-2-9-7(5-8)6-10(18-9)11(15)14-3-4-19(13,16)17/h1-2,5-6H,3-4,12H2,(H,14,15)(H2,13,16,17)
InChIKeyFMPFFPUUBPOXIP-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.50
Rot. Bonds4

About 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 61093849) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
PubChem CID61093849
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCCS(N)(=O)=O)cc2c1
InChIInChI=1S/C11H13N3O3S2/c12-8-1-2-9-7(5-8)6-10(18-9)11(15)14-3-4-19(13,16)17/h1-2,5-6H,3-4,12H2,(H,14,15)(H2,13,16,17)
InChIKeyFMPFFPUUBPOXIP-UHFFFAOYSA-N
XLogP0.50
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-amino-N-(2-pyridin-2-ylethyl)-1-benzothiophene-2-carboxamide
CID 61095095
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
5-amino-N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 61095308
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81170386

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide (CID 61093849) is 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NCCS(N)(=O)=O)cc2c1.
What is the InChIKey of 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FMPFFPUUBPOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c12-8-1-2-9-7(5-8)6-10(18-9)11(15)14-3-4-19(13,16)17/h1-2,5-6H,3-4,12H2,(H,14,15)(H2,13,16,17).
What are the key properties of 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61093849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).