3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide

C13H11FN2O3S2 — CID 79516022

IUPAC3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2cccc(F)c12
InChIInChI=1S/C13H11FN2O3S2/c14-8-2-1-3-9-10(8)11(15)12(20-9)13(17)16-7-4-5-21(18,19)6-7/h1-5,7H,6,15H2,(H,16,17)
InChIKeySSPWEOQRFYDBKL-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide

3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 79516022) has the molecular formula C13H11FN2O3S2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID79516022
Molecular FormulaC13H11FN2O3S2
Molecular Weight326.37 g/mol
Exact Mass326.02
IUPAC Name3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2cccc(F)c12
InChIInChI=1S/C13H11FN2O3S2/c14-8-2-1-3-9-10(8)11(15)12(20-9)13(17)16-7-4-5-21(18,19)6-7/h1-5,7H,6,15H2,(H,16,17)
InChIKeySSPWEOQRFYDBKL-UHFFFAOYSA-N
XLogP1.66
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-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

3-amino-4-fluoro-N-piperidin-4-yl-1-benzothiophene-2-carboxamide
CID 79511694
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-benzothiophene-2-carboxamide
CID 2973977
3-chloro-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-benzothiophene-2-carboxamide
CID 1250772
3-amino-4-fluoro-N-(2-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 79510859
3-amino-4-fluoro-N-(2-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 79517182
3-amino-4-fluoro-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 79512370
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181
5-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519243
3-amino-4-fluoro-N-(3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 79510954
3-amino-4-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79516844
3-amino-4-fluoro-N-pentan-3-yl-1-benzothiophene-2-carboxamide
CID 79512257
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide (CID 79516022) is 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide is Nc1c(C(=O)NC2C=CS(=O)(=O)C2)sc2cccc(F)c12.
What is the InChIKey of 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is SSPWEOQRFYDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S2/c14-8-2-1-3-9-10(8)11(15)12(20-9)13(17)16-7-4-5-21(18,19)6-7/h1-5,7H,6,15H2,(H,16,17).
What are the key properties of 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79516022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).