N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide

C19H14N2O4S — CID 2205199

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O4S/c22-18(12-6-7-15-16(9-12)25-11-24-15)20-13-3-1-4-14(10-13)21-19(23)17-5-2-8-26-17/h1-10H,11H2,(H,20,22)(H,21,23)
InChIKeyUWDWZKSFPVELKE-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.98
Rot. Bonds4

About N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 2205199) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID2205199
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H14N2O4S/c22-18(12-6-7-15-16(9-12)25-11-24-15)20-13-3-1-4-14(10-13)21-19(23)17-5-2-8-26-17/h1-10H,11H2,(H,20,22)(H,21,23)
InChIKeyUWDWZKSFPVELKE-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-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-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CID 2205199) is N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UWDWZKSFPVELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4S/c22-18(12-6-7-15-16(9-12)25-11-24-15)20-13-3-1-4-14(10-13)21-19(23)17-5-2-8-26-17/h1-10H,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2205199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).