[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C20H22N2O3S — CID 44900852

IUPAC[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H22N2O3S/c1-15-13-16-7-2-3-10-19(16)22(15)20(23)17-8-6-9-18(14-17)21-11-4-5-12-26(21,24)25/h2-3,6-10,14-15H,4-5,11-13H2,1H3
InChIKeyZOIOGWYASDCBQA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.21
Rot. Bonds2

About [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 44900852) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID44900852
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H22N2O3S/c1-15-13-16-7-2-3-10-19(16)22(15)20(23)17-8-6-9-18(14-17)21-11-4-5-12-26(21,24)25/h2-3,6-10,14-15H,4-5,11-13H2,1H3
InChIKeyZOIOGWYASDCBQA-UHFFFAOYSA-N
XLogP3.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110309764
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 92893031
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 93487728

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 44900852) is [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZOIOGWYASDCBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-13-16-7-2-3-10-19(16)22(15)20(23)17-8-6-9-18(14-17)21-11-4-5-12-26(21,24)25/h2-3,6-10,14-15H,4-5,11-13H2,1H3.
What are the key properties of [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 370.47 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 44900852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).