4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C20H16N2O6S — CID 154337756

IUPAC4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)ccc12
InChIInChI=1S/C20H16N2O6S/c1-11-9-17(23)28-15-10-12(7-8-13(11)15)21-20(25)18-19(24)14-5-3-4-6-16(14)29(26,27)22(18)2/h3-10,24H,1-2H3,(H,21,25)
InChIKeyMLBYHNTVWVEJMP-UHFFFAOYSA-N
MW412.42 g/mol
LogP2.60
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 154337756) has the molecular formula C20H16N2O6S and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID154337756
Molecular FormulaC20H16N2O6S
Molecular Weight412.42 g/mol
Exact Mass412.07
IUPAC Name4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)ccc12
InChIInChI=1S/C20H16N2O6S/c1-11-9-17(23)28-15-10-12(7-8-13(11)15)21-20(25)18-19(24)14-5-3-4-6-16(14)29(26,27)22(18)2/h3-10,24H,1-2H3,(H,21,25)
InChIKeyMLBYHNTVWVEJMP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154507393
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154171358
N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154507392
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
4-methyl-N-(4-methyl-2-oxochromen-7-yl)piperazine-1-carbothioamide
CID 17270256
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 154337756) is 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)ccc12.
What is the InChIKey of 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is MLBYHNTVWVEJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6S/c1-11-9-17(23)28-15-10-12(7-8-13(11)15)21-20(25)18-19(24)14-5-3-4-6-16(14)29(26,27)22(18)2/h3-10,24H,1-2H3,(H,21,25).
What are the key properties of 4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-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-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 154337756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).