N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide

C20H14N4O6S3 — CID 10195955

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2
InChIInChI=1S/C20H14N4O6S3/c1-10(25)12-7-16-17(30-9-29-16)8-14(12)21-20(26)19-18(4-5-31-19)33(27,28)24-11-2-3-13-15(6-11)23-32-22-13/h2-8,24H,9H2,1H3,(H,21,26)
InChIKeyZEAHGTWBKUHPFB-UHFFFAOYSA-N
MW502.56 g/mol
LogP3.74
Rot. Bonds6

About N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide (PubChem CID 10195955) has the molecular formula C20H14N4O6S3 and a molecular weight of 502.56 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide
PubChem CID10195955
Molecular FormulaC20H14N4O6S3
Molecular Weight502.56 g/mol
Exact Mass502.01
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2
InChIInChI=1S/C20H14N4O6S3/c1-10(25)12-7-16-17(30-9-29-16)8-14(12)21-20(26)19-18(4-5-31-19)33(27,28)24-11-2-3-13-15(6-11)23-32-22-13/h2-8,24H,9H2,1H3,(H,21,26)
InChIKeyZEAHGTWBKUHPFB-UHFFFAOYSA-N
XLogP3.74
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-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

N-(6-methyl-1,3-benzodioxol-5-yl)-3-([1,2,5]thiadiazolo[3,4-b]pyridin-5-ylsulfamoyl)thiophene-2-carboxamide
CID 70235864
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
CID 2541719
N-(2,1,3-benzothiadiazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 773424
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 1448355
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethoxy)benzamide
CID 10338943
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-2-methylpropanamide
CID 146349803
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(7-cyano-6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 174373360

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide (CID 10195955) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc3nsnc3c1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is ZEAHGTWBKUHPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6S3/c1-10(25)12-7-16-17(30-9-29-16)8-14(12)21-20(26)19-18(4-5-31-19)33(27,28)24-11-2-3-13-15(6-11)23-32-22-13/h2-8,24H,9H2,1H3,(H,21,26).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 502.56 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 10195955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).