4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C20H16N2O6S — CID 154171358

IUPAC4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2occ(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(=O)c2c1
InChIInChI=1S/C20H16N2O6S/c1-11-7-8-15-13(9-11)18(23)14(10-28-15)21-20(25)17-19(24)12-5-3-4-6-16(12)29(26,27)22(17)2/h3-10,24H,1-2H3,(H,21,25)
InChIKeyQKVUTAVDIHCINK-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.60
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 154171358) has the molecular formula C20H16N2O6S and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID154171358
Molecular FormulaC20H16N2O6S
Molecular Weight412.42 g/mol
Exact Mass412.07
IUPAC Name4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2occ(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(=O)c2c1
InChIInChI=1S/C20H16N2O6S/c1-11-7-8-15-13(9-11)18(23)14(10-28-15)21-20(25)17-19(24)12-5-3-4-6-16(12)29(26,27)22(17)2/h3-10,24H,1-2H3,(H,21,25)
InChIKeyQKVUTAVDIHCINK-UHFFFAOYSA-N
XLogP2.60
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 154171358) is 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1ccc2occ(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(=O)c2c1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is QKVUTAVDIHCINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6S/c1-11-7-8-15-13(9-11)18(23)14(10-28-15)21-20(25)17-19(24)12-5-3-4-6-16(12)29(26,27)22(17)2/h3-10,24H,1-2H3,(H,21,25).
What are the key properties of 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 154171358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).