N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H15N3O5S — CID 7202885

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H15N3O5S/c24-17-4-5-18(25)23(17)12-3-1-2-11(8-12)19(26)22-20-21-13-9-14-15(10-16(13)29-20)28-7-6-27-14/h1-3,8-10H,4-7H2,(H,21,22,26)
InChIKeySUUMTEGRUQODNL-UHFFFAOYSA-N
MW409.42 g/mol
LogP2.97
Rot. Bonds3

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 7202885) has the molecular formula C20H15N3O5S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID7202885
Molecular FormulaC20H15N3O5S
Molecular Weight409.42 g/mol
Exact Mass409.07
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H15N3O5S/c24-17-4-5-18(25)23(17)12-3-1-2-11(8-12)19(26)22-20-21-13-9-14-15(10-16(13)29-20)28-7-6-27-14/h1-3,8-10H,4-7H2,(H,21,22,26)
InChIKeySUUMTEGRUQODNL-UHFFFAOYSA-N
XLogP2.97
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide 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-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 7202885) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is SUUMTEGRUQODNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5S/c24-17-4-5-18(25)23(17)12-3-1-2-11(8-12)19(26)22-20-21-13-9-14-15(10-16(13)29-20)28-7-6-27-14/h1-3,8-10H,4-7H2,(H,21,22,26).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 409.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7202885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).