3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C20H17N3O4S — CID 7172926

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12
InChIInChI=1S/C20H17N3O4S/c1-11-6-7-14(27-2)17-18(11)28-20(21-17)22-19(26)12-4-3-5-13(10-12)23-15(24)8-9-16(23)25/h3-7,10H,8-9H2,1-2H3,(H,21,22,26)
InChIKeyWQKGASWMQZVXEH-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.52
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7172926) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7172926
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12
InChIInChI=1S/C20H17N3O4S/c1-11-6-7-14(27-2)17-18(11)28-20(21-17)22-19(26)12-4-3-5-13(10-12)23-15(24)8-9-16(23)25/h3-7,10H,8-9H2,1-2H3,(H,21,22,26)
InChIKeyWQKGASWMQZVXEH-UHFFFAOYSA-N
XLogP3.52
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
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)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(4-5-methoxy-7-2-methyl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 56592940
N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicotinamide
CID 56592910
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide hydrobromide
CID 1117191
N-[7-(acetyl-ethyl-amino)-4-methoxy-benzothiazol-2-yl]-4-fluoro-benzamide
CID 9930130
4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetamido)benzo[d]thiazol-2-yl)benzamide
CID 10126989
N-[7-(acetyl-methyl-amino)-4-methoxy-benzothiazol-2-yl]-4-fluoro-benzamide
CID 10237267
N-(7-acetamido-4-methoxybenzo[d]thiazol-2-yl)-4-fluorobenzamide
CID 22283414
N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 835360
N-(4-Methoxy-1,3-benzothiazol-2-yl)benzamide
CID 569599
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 1188888

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7172926) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1ccc(C)c2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WQKGASWMQZVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-11-6-7-14(27-2)17-18(11)28-20(21-17)22-19(26)12-4-3-5-13(10-12)23-15(24)8-9-16(23)25/h3-7,10H,8-9H2,1-2H3,(H,21,22,26).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7172926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).