4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

C20H20N4O3S4 — CID 5048791

IUPAC4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1
InChIInChI=1S/C20H20N4O3S4/c1-4-24(5-2)31(26,27)13-8-6-12(7-9-13)18(25)23-19-21-14-10-11-15-17(16(14)29-19)30-20(22-15)28-3/h6-11H,4-5H2,1-3H3,(H,21,23,25)
InChIKeyPDFNBMHPKLTEAF-UHFFFAOYSA-N
MW492.67 g/mol
LogP4.91
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide

4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (PubChem CID 5048791) has the molecular formula C20H20N4O3S4 and a molecular weight of 492.67 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
PubChem CID5048791
Molecular FormulaC20H20N4O3S4
Molecular Weight492.67 g/mol
Exact Mass492.04
IUPAC Name4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1
InChIInChI=1S/C20H20N4O3S4/c1-4-24(5-2)31(26,27)13-8-6-12(7-9-13)18(25)23-19-21-14-10-11-15-17(16(14)29-19)30-20(22-15)28-3/h6-11H,4-5H2,1-3H3,(H,21,23,25)
InChIKeyPDFNBMHPKLTEAF-UHFFFAOYSA-N
XLogP4.91
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
4-cyano-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 4651889
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 4671583
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 18553500
3-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 121042350
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide (CID 5048791) is 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
The InChIKey is PDFNBMHPKLTEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S4/c1-4-24(5-2)31(26,27)13-8-6-12(7-9-13)18(25)23-19-21-14-10-11-15-17(16(14)29-19)30-20(22-15)28-3/h6-11H,4-5H2,1-3H3,(H,21,23,25).
What are the key properties of 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide?
4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide has a molecular weight of 492.67 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide is sourced from PubChem (CID 5048791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).