3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide

C19H16N2O5S2 — CID 43947236

IUPAC3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3c2OCO3)cs1
InChIInChI=1S/C19H16N2O5S2/c22-17(9-10-28(23,24)13-5-2-1-3-6-13)21-19-20-15(11-27-19)14-7-4-8-16-18(14)26-12-25-16/h1-8,11H,9-10,12H2,(H,20,21,22)
InChIKeyDNGYMSPAMGUAHO-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.34
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide

3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 43947236) has the molecular formula C19H16N2O5S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID43947236
Molecular FormulaC19H16N2O5S2
Molecular Weight416.48 g/mol
Exact Mass416.05
IUPAC Name3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3c2OCO3)cs1
InChIInChI=1S/C19H16N2O5S2/c22-17(9-10-28(23,24)13-5-2-1-3-6-13)21-19-20-15(11-27-19)14-7-4-8-16-18(14)26-12-25-16/h1-8,11H,9-10,12H2,(H,20,21,22)
InChIKeyDNGYMSPAMGUAHO-UHFFFAOYSA-N
XLogP3.34
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide 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

3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 18560861
4-(benzenesulfonyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butanamide
CID 41273052
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]-4-[benzyl(propan-2-yl)sulfamoyl]benzamide
CID 16833742
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235089
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16910539
4-(benzenesulfonyl)-N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]butanamide
CID 25319300
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide (CID 43947236) is 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc3c2OCO3)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is DNGYMSPAMGUAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S2/c22-17(9-10-28(23,24)13-5-2-1-3-6-13)21-19-20-15(11-27-19)14-7-4-8-16-18(14)26-12-25-16/h1-8,11H,9-10,12H2,(H,20,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 416.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 43947236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).