N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C24H26N4O3S — CID 16808730

IUPACN-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12
InChIInChI=1S/C24H26N4O3S/c1-16-6-4-7-19-22(16)25-24(32-19)27(15-5-14-26(2)3)23(31)17-8-10-18(11-9-17)28-20(29)12-13-21(28)30/h4,6-11H,5,12-15H2,1-3H3
InChIKeyUXUBNSZYDNDISS-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.86
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16808730) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16808730
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC NameN-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12
InChIInChI=1S/C24H26N4O3S/c1-16-6-4-7-19-22(16)25-24(32-19)27(15-5-14-26(2)3)23(31)17-8-10-18(11-9-17)28-20(29)12-13-21(28)30/h4,6-11H,5,12-15H2,1-3H3
InChIKeyUXUBNSZYDNDISS-UHFFFAOYSA-N
XLogP3.86
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide;hydrochloride
CID 44929496
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900165
N-[3-(dimethylamino)propyl]-3,4-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808731
4-(diethylamino)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44930220
N-[3-(dimethylamino)propyl]-4-(dimethylsulfamoyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808722
N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
CID 44930219
4-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7489824
4-(diethylsulfamoyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41347344
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963799
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16799100
N-[2-(dimethylamino)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44922869
methyl 4-[2-(dimethylamino)ethyl-(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate;hydrochloride
CID 44923575

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 16808730) is N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UXUBNSZYDNDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16-6-4-7-19-22(16)25-24(32-19)27(15-5-14-26(2)3)23(31)17-8-10-18(11-9-17)28-20(29)12-13-21(28)30/h4,6-11H,5,12-15H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16808730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).