5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide

C11H10F2N2OS — CID 113303500

IUPAC5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCC(F)F)cc2c1
InChIInChI=1S/C11H10F2N2OS/c12-10(13)5-15-11(16)9-4-6-3-7(14)1-2-8(6)17-9/h1-4,10H,5,14H2,(H,15,16)
InChIKeyXARAOEIXYCIEDB-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.48
Rot. Bonds3

About 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide (PubChem CID 113303500) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
PubChem CID113303500
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)NCC(F)F)cc2c1
InChIInChI=1S/C11H10F2N2OS/c12-10(13)5-15-11(16)9-4-6-3-7(14)1-2-8(6)17-9/h1-4,10H,5,14H2,(H,15,16)
InChIKeyXARAOEIXYCIEDB-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2,2-difluoroethyl)-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

5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 102694291
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-[(4-chlorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 61095308
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 81170386
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide (CID 113303500) is 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)NCC(F)F)cc2c1.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is XARAOEIXYCIEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c12-10(13)5-15-11(16)9-4-6-3-7(14)1-2-8(6)17-9/h1-4,10H,5,14H2,(H,15,16).
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 256.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113303500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).