N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide

C18H19N3O3S2 — CID 2677030

IUPACN-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-3-21(4-2)26(23,24)14-11-9-13(10-12-14)17(22)20-18-19-15-7-5-6-8-16(15)25-18/h5-12H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyLUXLMYJLYIMOLG-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.58
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide (PubChem CID 2677030) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
PubChem CID2677030
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-3-21(4-2)26(23,24)14-11-9-13(10-12-14)17(22)20-18-19-15-7-5-6-8-16(15)25-18/h5-12H,3-4H2,1-2H3,(H,19,20,22)
InChIKeyLUXLMYJLYIMOLG-UHFFFAOYSA-N
XLogP3.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(1,3-benzothiazol-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46828199
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-(1,3-benzothiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804492
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5048791
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 4671611
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide (CID 2677030) is N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is LUXLMYJLYIMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-3-21(4-2)26(23,24)14-11-9-13(10-12-14)17(22)20-18-19-15-7-5-6-8-16(15)25-18/h5-12H,3-4H2,1-2H3,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2677030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).