N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

C19H20N2O4S — CID 75767802

IUPACN-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Sc3ccccc3N(C)C2=O)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-19(18(23)21(2)13-7-5-6-8-16(13)26-19)17(22)20-12-9-10-14(24-3)15(11-12)25-4/h5-11H,1-4H3,(H,20,22)
InChIKeyWEZAKBQYPLONQE-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.17
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75767802) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75767802
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)Sc3ccccc3N(C)C2=O)cc1OC
InChIInChI=1S/C19H20N2O4S/c1-19(18(23)21(2)13-7-5-6-8-16(13)26-19)17(22)20-12-9-10-14(24-3)15(11-12)25-4/h5-11H,1-4H3,(H,20,22)
InChIKeyWEZAKBQYPLONQE-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-3-oxo-N-pyridin-4-yl-1,4-benzothiazine-2-carboxamide
CID 75769735
2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
N-(3-chloro-4-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75767649
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878129
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
CID 20955927
N-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769204
(3,4-dimethoxyphenyl)urea
CID 21197430
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75767802) is N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is COc1ccc(NC(=O)C2(C)Sc3ccccc3N(C)C2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is WEZAKBQYPLONQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(18(23)21(2)13-7-5-6-8-16(13)26-19)17(22)20-12-9-10-14(24-3)15(11-12)25-4/h5-11H,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).