N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

C19H22N2O4S — CID 132656227

IUPACN-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C19H22N2O4S/c1-12-9-14(19(22)20-13(2)11-25-4)10-16-15-7-5-6-8-17(15)26(23,24)21(3)18(12)16/h5-10,13H,11H2,1-4H3,(H,20,22)
InChIKeyATFGGGZERQWHAZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.57
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 132656227) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID132656227
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C19H22N2O4S/c1-12-9-14(19(22)20-13(2)11-25-4)10-16-15-7-5-6-8-17(15)26(23,24)21(3)18(12)16/h5-10,13H,11H2,1-4H3,(H,20,22)
InChIKeyATFGGGZERQWHAZ-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 132656227) is N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is COCC(C)NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is ATFGGGZERQWHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-9-14(19(22)20-13(2)11-25-4)10-16-15-7-5-6-8-17(15)26(23,24)21(3)18(12)16/h5-10,13H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 132656227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).