N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide

C20H16N2O5S — CID 56637063

IUPACN-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
SMILESCOc1ccc2occ(NC(=O)C3C(=O)c4ccccc4SN3C)c(=O)c2c1
InChIInChI=1S/C20H16N2O5S/c1-22-17(19(24)12-5-3-4-6-16(12)28-22)20(25)21-14-10-27-15-8-7-11(26-2)9-13(15)18(14)23/h3-10,17H,1-2H3,(H,21,25)
InChIKeyDUVYYCKCFRJDDN-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.94
Rot. Bonds3

About N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide

N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide (PubChem CID 56637063) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
PubChem CID56637063
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC NameN-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide
SMILESCOc1ccc2occ(NC(=O)C3C(=O)c4ccccc4SN3C)c(=O)c2c1
InChIInChI=1S/C20H16N2O5S/c1-22-17(19(24)12-5-3-4-6-16(12)28-22)20(25)21-14-10-27-15-8-7-11(26-2)9-13(15)18(14)23/h3-10,17H,1-2H3,(H,21,25)
InChIKeyDUVYYCKCFRJDDN-UHFFFAOYSA-N
XLogP2.94
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide (CID 56637063) is N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide is COc1ccc2occ(NC(=O)C3C(=O)c4ccccc4SN3C)c(=O)c2c1.
What is the InChIKey of N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The InChIKey is DUVYYCKCFRJDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-22-17(19(24)12-5-3-4-6-16(12)28-22)20(25)21-14-10-27-15-8-7-11(26-2)9-13(15)18(14)23/h3-10,17H,1-2H3,(H,21,25).
What are the key properties of N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-4-oxochromen-3-yl)-2-methyl-4-oxo-3H-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 56637063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).