N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

C24H32N4O3S2 — CID 41345306

IUPACN-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1
InChIInChI=1S/C24H32N4O3S2/c1-6-18-9-14-21-22(17-18)32-24(25-21)28(16-15-27(7-2)8-3)23(29)19-10-12-20(13-11-19)33(30,31)26(4)5/h9-14,17H,6-8,15-16H2,1-5H3
InChIKeyMVPZYHQYDJQLHJ-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.10
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41345306) has the molecular formula C24H32N4O3S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41345306
Molecular FormulaC24H32N4O3S2
Molecular Weight488.68 g/mol
Exact Mass488.19
IUPAC NameN-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1
InChIInChI=1S/C24H32N4O3S2/c1-6-18-9-14-21-22(17-18)32-24(25-21)28(16-15-27(7-2)8-3)23(29)19-10-12-20(13-11-19)33(30,31)26(4)5/h9-14,17H,6-8,15-16H2,1-5H3
InChIKeyMVPZYHQYDJQLHJ-UHFFFAOYSA-N
XLogP4.10
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925739
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 43959567
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonylbenzamide;hydrochloride
CID 44927927
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide;hydrochloride
CID 44927930
N-[2-(diethylamino)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 43959579
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 43959614
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44925420
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methylsulfonylbenzamide
CID 41045415
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-3-fluorobenzamide;hydrochloride
CID 44925651
3-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925645
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993650
N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide;hydrochloride
CID 44925756

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide (CID 41345306) is N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MVPZYHQYDJQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S2/c1-6-18-9-14-21-22(17-18)32-24(25-21)28(16-15-27(7-2)8-3)23(29)19-10-12-20(13-11-19)33(30,31)26(4)5/h9-14,17H,6-8,15-16H2,1-5H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide?
N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 488.68 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).