N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide

C22H19FN2O4S — CID 55931021

IUPACN-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1cc(F)cc2c1OCOC2)c1ccsc1
InChIInChI=1S/C22H19FN2O4S/c23-17-9-14(20-16(10-17)11-28-13-29-20)5-7-24-22(27)18-3-1-2-4-19(18)25-21(26)15-6-8-30-12-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,24,27)(H,25,26)
InChIKeyOEBQWQPXZISBLJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55931021) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55931021
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC NameN-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCCc1cc(F)cc2c1OCOC2)c1ccsc1
InChIInChI=1S/C22H19FN2O4S/c23-17-9-14(20-16(10-17)11-28-13-29-20)5-7-24-22(27)18-3-1-2-4-19(18)25-21(26)15-6-8-30-12-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,24,27)(H,25,26)
InChIKeyOEBQWQPXZISBLJ-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-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

2-benzoyl-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]benzamide
CID 55841999
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 86865764
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55842645
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55678936
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
N-[4-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 55842902
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55841367
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55666093
1-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703023
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
CID 51128406

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 55931021) is N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCCc1cc(F)cc2c1OCOC2)c1ccsc1.
What is the InChIKey of N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is OEBQWQPXZISBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c23-17-9-14(20-16(10-17)11-28-13-29-20)5-7-24-22(27)18-3-1-2-4-19(18)25-21(26)15-6-8-30-12-15/h1-4,6,8-10,12H,5,7,11,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55931021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).