2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide

C25H26N2O3S — CID 133231430

IUPAC2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1cc(C)c2c(c1)N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C25H26N2O3S/c1-17-13-18(2)25-21-11-7-8-12-23(21)31(29,30)27(22(25)14-17)16-24(28)26-15-19(3)20-9-5-4-6-10-20/h4-14,19H,15-16H2,1-3H3,(H,26,28)
InChIKeyCAZRRDSTSOAUNU-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.40
Rot. Bonds5

About 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide

2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide (PubChem CID 133231430) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
PubChem CID133231430
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
SMILESCc1cc(C)c2c(c1)N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C25H26N2O3S/c1-17-13-18(2)25-21-11-7-8-12-23(21)31(29,30)27(22(25)14-17)16-24(28)26-15-19(3)20-9-5-4-6-10-20/h4-14,19H,15-16H2,1-3H3,(H,26,28)
InChIKeyCAZRRDSTSOAUNU-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide with MolForge

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Related Compounds

2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
CID 133239611
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
CID 133238893
N-[(2S)-2-phenylpropyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 8708927
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9456944
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 17200822
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 94079547
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(1-phenylethyl)acetamide
CID 17200931
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3,5-dimethylbenzoate
CID 8535856
N-(3,4-dimethylphenyl)-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200846
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261

Frequently Asked Questions

What is the IUPAC name of 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide (CID 133231430) is 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide is Cc1cc(C)c2c(c1)N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide?
The InChIKey is CAZRRDSTSOAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-17-13-18(2)25-21-11-7-8-12-23(21)31(29,30)27(22(25)14-17)16-24(28)26-15-19(3)20-9-5-4-6-10-20/h4-14,19H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide?
2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide has a molecular weight of 434.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,10-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133231430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).