N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

C24H24N2O3S — CID 23610279

IUPACN-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESCCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H24N2O3S/c1-4-18-12-13-21-20(14-18)19-10-5-6-11-22(19)30(28,29)26(21)15-23(27)25-24-16(2)8-7-9-17(24)3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyKIBIUWCIZQBRLB-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.68
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (PubChem CID 23610279) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
PubChem CID23610279
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESCCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H24N2O3S/c1-4-18-12-13-21-20(14-18)19-10-5-6-11-22(19)30(28,29)26(21)15-23(27)25-24-16(2)8-7-9-17(24)3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyKIBIUWCIZQBRLB-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (CID 23610279) is N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The InChIKey is KIBIUWCIZQBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-4-18-12-13-21-20(14-18)19-10-5-6-11-22(19)30(28,29)26(21)15-23(27)25-24-16(2)8-7-9-17(24)3/h5-14H,4,15H2,1-3H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is sourced from PubChem (CID 23610279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).