N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide

C12H9NO3S — CID 692194

IUPACN-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C12H9NO3S/c14-12(11-2-1-5-17-11)13-8-3-4-9-10(6-8)16-7-15-9/h1-6H,7H2,(H,13,14)
InChIKeyWEFYRXKTLVGOFU-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.73
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide

N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide (PubChem CID 692194) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide
PubChem CID692194
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC NameN-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccs1
InChIInChI=1S/C12H9NO3S/c14-12(11-2-1-5-17-11)13-8-3-4-9-10(6-8)16-7-15-9/h1-6H,7H2,(H,13,14)
InChIKeyWEFYRXKTLVGOFU-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide (CID 692194) is N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccs1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide?
The InChIKey is WEFYRXKTLVGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-12(11-2-1-5-17-11)13-8-3-4-9-10(6-8)16-7-15-9/h1-6H,7H2,(H,13,14).
What are the key properties of N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).