N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide

C24H32N4O3S2 — CID 5075791

IUPACN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1
InChIInChI=1S/C24H32N4O3S2/c1-5-7-14-28(15-8-6-2)33(30,31)20-12-13-21-22(17-20)32-24(25-21)26-23(29)18-10-9-11-19(16-18)27(3)4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,25,26,29)
InChIKeyJAAJXMZMMGNBHP-UHFFFAOYSA-N
MW488.68 g/mol
LogP5.21
Rot. Bonds11

About N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide (PubChem CID 5075791) has the molecular formula C24H32N4O3S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
PubChem CID5075791
Molecular FormulaC24H32N4O3S2
Molecular Weight488.68 g/mol
Exact Mass488.19
IUPAC NameN-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1
InChIInChI=1S/C24H32N4O3S2/c1-5-7-14-28(15-8-6-2)33(30,31)20-12-13-21-22(17-20)32-24(25-21)26-23(29)18-10-9-11-19(16-18)27(3)4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,25,26,29)
InChIKeyJAAJXMZMMGNBHP-UHFFFAOYSA-N
XLogP5.21
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
4-chloro-N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 5130406
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CID 3310017
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899

Frequently Asked Questions

What is the IUPAC name of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide (CID 5075791) is N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(N(C)C)c3)sc2c1.
What is the InChIKey of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide?
The InChIKey is JAAJXMZMMGNBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S2/c1-5-7-14-28(15-8-6-2)33(30,31)20-12-13-21-22(17-20)32-24(25-21)26-23(29)18-10-9-11-19(16-18)27(3)4/h9-13,16-17H,5-8,14-15H2,1-4H3,(H,25,26,29).
What are the key properties of N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide?
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide has a molecular weight of 488.68 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 5075791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).