2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

C18H17N3O4S — CID 167989914

IUPAC2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-18(23)19-14-7-3-5-9-16(14)26(20,24)25/h2-9,12H,10-11H2,1H3,(H,19,23)
InChIKeyZTPAIAPNNKKWMW-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.20
Rot. Bonds2

About 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one

2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (PubChem CID 167989914) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
PubChem CID167989914
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)CN1C(=O)Nc2ccccc2S1(=O)=O
InChIInChI=1S/C18H17N3O4S/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-18(23)19-14-7-3-5-9-16(14)26(20,24)25/h2-9,12H,10-11H2,1H3,(H,19,23)
InChIKeyZTPAIAPNNKKWMW-UHFFFAOYSA-N
XLogP2.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 4790412
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4878925
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
(4R)-3'-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2445472
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 51325809
(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2704293
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626165
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The IUPAC name of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one (CID 167989914) is 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
What is the SMILES notation for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The canonical SMILES for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is CC1Cc2ccccc2N1C(=O)CN1C(=O)Nc2ccccc2S1(=O)=O.
What is the InChIKey of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
The InChIKey is ZTPAIAPNNKKWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-12-10-13-6-2-4-8-15(13)21(12)17(22)11-20-18(23)19-14-7-3-5-9-16(14)26(20,24)25/h2-9,12H,10-11H2,1H3,(H,19,23).
What are the key properties of 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one?
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one has a molecular weight of 371.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one is sourced from PubChem (CID 167989914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).