4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide

C24H28N2O2S — CID 4090601

IUPAC4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C24H28N2O2S/c27-23-17-29-22-14-13-19(24(28)25-20-11-7-2-1-3-8-12-20)15-21(22)26(23)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,20H,1-3,7-8,11-12,16-17H2,(H,25,28)
InChIKeyOFJUKJQNIMANOW-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.17
Rot. Bonds4

About 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide

4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 4090601) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID4090601
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
InChIInChI=1S/C24H28N2O2S/c27-23-17-29-22-14-13-19(24(28)25-20-11-7-2-1-3-8-12-20)15-21(22)26(23)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,20H,1-3,7-8,11-12,16-17H2,(H,25,28)
InChIKeyOFJUKJQNIMANOW-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4168928
N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 22421974
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
4-benzyl-N-cyclopentyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876228
4-benzyl-N-(3-ethoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4095111
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
1-benzyl-N-cyclopropyl-2-oxo-3H-indole-5-carboxamide
CID 53160635
4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid
CID 4073504
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 92653977

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide (CID 4090601) is 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide is O=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2.
What is the InChIKey of 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is OFJUKJQNIMANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c27-23-17-29-22-14-13-19(24(28)25-20-11-7-2-1-3-8-12-20)15-21(22)26(23)16-18-9-5-4-6-10-18/h4-6,9-10,13-15,20H,1-3,7-8,11-12,16-17H2,(H,25,28).
What are the key properties of 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4090601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).