N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide

C21H28N4O4S — CID 41345570

IUPACN-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)CN3C(=O)CCC3=O)nc12
InChIInChI=1S/C21H28N4O4S/c1-4-23(5-2)12-13-24(19(28)14-25-17(26)10-11-18(25)27)21-22-20-15(29-6-3)8-7-9-16(20)30-21/h7-9H,4-6,10-14H2,1-3H3
InChIKeyUUSGBJJJKWEAOP-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.52
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide

N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41345570) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID41345570
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(N(CCN(CC)CC)C(=O)CN3C(=O)CCC3=O)nc12
InChIInChI=1S/C21H28N4O4S/c1-4-23(5-2)12-13-24(19(28)14-25-17(26)10-11-18(25)27)21-22-20-15(29-6-3)8-7-9-16(20)30-21/h7-9H,4-6,10-14H2,1-3H3
InChIKeyUUSGBJJJKWEAOP-UHFFFAOYSA-N
XLogP2.52
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide;hydrochloride
CID 16799131
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29137601
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 40983465
N-[2-(diethylamino)ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 43962095
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 43960859
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 43961403
4-acetyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41345519
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 43959764
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,6-difluorobenzamide;hydrochloride
CID 16798965
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 41345584
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 44927530
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 43959733

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 41345570) is N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1cccc2sc(N(CCN(CC)CC)C(=O)CN3C(=O)CCC3=O)nc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is UUSGBJJJKWEAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-4-23(5-2)12-13-24(19(28)14-25-17(26)10-11-18(25)27)21-22-20-15(29-6-3)8-7-9-16(20)30-21/h7-9H,4-6,10-14H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41345570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).