6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide

C27H27N3O4S — CID 46368482

IUPAC6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C27H27N3O4S/c1-2-30-24-15-14-19(18-22(24)20-10-5-7-13-25(20)35(30,33)34)26(31)28-23-12-6-4-11-21(23)27(32)29-16-8-3-9-17-29/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3,(H,28,31)
InChIKeyBGQJLJRMGGAICK-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.76
Rot. Bonds4

About 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide

6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368482) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368482
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C27H27N3O4S/c1-2-30-24-15-14-19(18-22(24)20-10-5-7-13-25(20)35(30,33)34)26(31)28-23-12-6-4-11-21(23)27(32)29-16-8-3-9-17-29/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3,(H,28,31)
InChIKeyBGQJLJRMGGAICK-UHFFFAOYSA-N
XLogP4.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide with MolForge

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 95058673
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-(butan-2-ylcarbamoyl)phenyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368463
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
N-(2,4-dimethylpentan-3-yl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814633
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 98747676

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide (CID 46368482) is 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide is CCN1c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is BGQJLJRMGGAICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-2-30-24-15-14-19(18-22(24)20-10-5-7-13-25(20)35(30,33)34)26(31)28-23-12-6-4-11-21(23)27(32)29-16-8-3-9-17-29/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3,(H,28,31).
What are the key properties of 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide?
6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).