2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C20H19N3O3S — CID 20931281

IUPAC2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)C(C)(C)c4ccccc43)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-20(2)13-6-4-5-7-15(13)23(18(20)25)11-17(24)22-19-21-14-9-8-12(26-3)10-16(14)27-19/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyCOAWKNHHACOQRA-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.57
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 20931281) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID20931281
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)C(C)(C)c4ccccc43)sc2c1
InChIInChI=1S/C20H19N3O3S/c1-20(2)13-6-4-5-7-15(13)23(18(20)25)11-17(24)22-19-21-14-9-8-12(26-3)10-16(14)27-19/h4-10H,11H2,1-3H3,(H,21,22,24)
InChIKeyCOAWKNHHACOQRA-UHFFFAOYSA-N
XLogP3.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 41079731
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 4090994
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide
CID 47011287
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 11953106
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 42999966

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 20931281) is 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)CN3C(=O)C(C)(C)c4ccccc43)sc2c1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is COAWKNHHACOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-20(2)13-6-4-5-7-15(13)23(18(20)25)11-17(24)22-19-21-14-9-8-12(26-3)10-16(14)27-19/h4-10H,11H2,1-3H3,(H,21,22,24).
What are the key properties of 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 20931281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).