N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide

C15H13NO4S — CID 2541719

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1sccc1C)OCO2
InChIInChI=1S/C15H13NO4S/c1-8-3-4-21-14(8)15(18)16-11-6-13-12(19-7-20-13)5-10(11)9(2)17/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyYUBJAVZYXYSVJJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.24
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide (PubChem CID 2541719) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
PubChem CID2541719
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)c1sccc1C)OCO2
InChIInChI=1S/C15H13NO4S/c1-8-3-4-21-14(8)15(18)16-11-6-13-12(19-7-20-13)5-10(11)9(2)17/h3-6H,7H2,1-2H3,(H,16,18)
InChIKeyYUBJAVZYXYSVJJ-UHFFFAOYSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55363635
2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]benzoate
CID 6990078
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-5-ylsulfamoyl)thiophene-2-carboxamide
CID 10195955
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 31483328
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-difluorobenzamide
CID 18076884
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-chloro-2-fluorobenzamide
CID 18089901
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(6-acetyl-1,3-benzodioxol-5-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8832095
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-fluorobenzamide
CID 7924570
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,6-dimethylquinoline-3-carboxamide
CID 51283741
(E)-N-(6-acetyl-1,3-benzodioxol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18076773
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-2-methylpropanamide
CID 146349803

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide (CID 2541719) is N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide is CC(=O)c1cc2c(cc1NC(=O)c1sccc1C)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is YUBJAVZYXYSVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c1-8-3-4-21-14(8)15(18)16-11-6-13-12(19-7-20-13)5-10(11)9(2)17/h3-6H,7H2,1-2H3,(H,16,18).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2541719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).