N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

C18H16N2O6S — CID 2059760

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O6S/c21-17(19-12-5-6-14-15(11-12)26-10-9-25-14)7-8-20-18(22)13-3-1-2-4-16(13)27(20,23)24/h1-6,11H,7-10H2,(H,19,21)
InChIKeyHZJDITLGHNDGFM-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.63
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (PubChem CID 2059760) has the molecular formula C18H16N2O6S and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
PubChem CID2059760
Molecular FormulaC18H16N2O6S
Molecular Weight388.40 g/mol
Exact Mass388.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O6S/c21-17(19-12-5-6-14-15(11-12)26-10-9-25-14)7-8-20-18(22)13-3-1-2-4-16(13)27(20,23)24/h1-6,11H,7-10H2,(H,19,21)
InChIKeyHZJDITLGHNDGFM-UHFFFAOYSA-N
XLogP1.63
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-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

2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 10344103
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262699
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4854007
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
CID 6458112
N-2,3-dihydro-1,4-benzodioxin-6-yl-1-propionylindoline-5-sulfonamide
CID 3240508
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2596476
2-[2-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 44461160
N-(3-Methoxy-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1164167
N-(7-Oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 646239
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-isobutylsulfamoyl-benzamide
CID 654454
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-4-(piperidine-1-sulfonyl)-benzamide
CID 655655

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CID 2059760) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The InChIKey is HZJDITLGHNDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O6S/c21-17(19-12-5-6-14-15(11-12)26-10-9-25-14)7-8-20-18(22)13-3-1-2-4-16(13)27(20,23)24/h1-6,11H,7-10H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has a molecular weight of 388.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2059760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).