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

C20H21N3O5S2 — CID 2330660

IUPAC3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1
InChIInChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
InChIKeyAOLUXCPBFADWFK-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.35
Rot. Bonds6

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

3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (PubChem CID 2330660) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
PubChem CID2330660
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC Name3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1
InChIInChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24)
InChIKeyAOLUXCPBFADWFK-UHFFFAOYSA-N
XLogP3.35
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-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 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide (CID 2330660) is 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
The InChIKey is AOLUXCPBFADWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(25,26)14-7-5-6-13(10-14)19(24)22-20-21-15-11-16-17(12-18(15)29-20)28-9-8-27-16/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide?
3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2330660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).