4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

C20H23N3O3S2 — CID 8873954

IUPAC4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)sc2c1
InChIInChI=1S/C20H23N3O3S2/c1-4-14-7-12-17-18(13-14)27-20(21-17)22-19(24)15-8-10-16(11-9-15)28(25,26)23(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,21,22,24)
InChIKeyXRIONMCOGSTJIN-UHFFFAOYSA-N
MW417.56 g/mol
LogP4.14
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 8873954) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID8873954
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)sc2c1
InChIInChI=1S/C20H23N3O3S2/c1-4-14-7-12-17-18(13-14)27-20(21-17)22-19(24)15-8-10-16(11-9-15)28(25,26)23(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,21,22,24)
InChIKeyXRIONMCOGSTJIN-UHFFFAOYSA-N
XLogP4.14
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.14
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
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 23905623
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-fluorobenzamide
CID 3594581
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
4-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2991104
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 8873954) is 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)sc2c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is XRIONMCOGSTJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-4-14-7-12-17-18(13-14)27-20(21-17)22-19(24)15-8-10-16(11-9-15)28(25,26)23(5-2)6-3/h7-13H,4-6H2,1-3H3,(H,21,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 417.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 8873954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).