6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide

C19H22N2O3S — CID 132654046

IUPAC6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCCC(C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-4-7-13(2)20-19(22)14-10-11-17-16(12-14)15-8-5-6-9-18(15)25(23,24)21(17)3/h5-6,8-13H,4,7H2,1-3H3,(H,20,22)
InChIKeyMBRJPALGQYBWOF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.41
Rot. Bonds4

About 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide

6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 132654046) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID132654046
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCCC(C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-4-7-13(2)20-19(22)14-10-11-17-16(12-14)15-8-5-6-9-18(15)25(23,24)21(17)3/h5-6,8-13H,4,7H2,1-3H3,(H,20,22)
InChIKeyMBRJPALGQYBWOF-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide (CID 132654046) is 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide is CCCC(C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is MBRJPALGQYBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-7-13(2)20-19(22)14-10-11-17-16(12-14)15-8-5-6-9-18(15)25(23,24)21(17)3/h5-6,8-13H,4,7H2,1-3H3,(H,20,22).
What are the key properties of 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide?
6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 132654046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).