1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide

C20H16N2O4S — CID 54718441

IUPAC1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2c(ccc3ccccc23)S1(=O)=O
InChIInChI=1S/C20H16N2O4S/c1-22-18(20(24)21-14-8-3-2-4-9-14)19(23)17-15-10-6-5-7-13(15)11-12-16(17)27(22,25)26/h2-12,23H,1H3,(H,21,24)
InChIKeyVYMLWVHUZXCJLL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.34
Rot. Bonds2

About 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide

1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide (PubChem CID 54718441) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
PubChem CID54718441
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
SMILESCN1C(C(=O)Nc2ccccc2)=C(O)c2c(ccc3ccccc23)S1(=O)=O
InChIInChI=1S/C20H16N2O4S/c1-22-18(20(24)21-14-8-3-2-4-9-14)19(23)17-15-10-6-5-7-13(15)11-12-16(17)27(22,25)26/h2-12,23H,1H3,(H,21,24)
InChIKeyVYMLWVHUZXCJLL-UHFFFAOYSA-N
XLogP3.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxobenzo[h][1,2]benzothiazine-3-carboxamide
CID 54695974
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
N-(furan-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154119807
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54679479
4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154337756
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
4-hydroxy-2-methyl-N-(1-methylpyridin-1-ium-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54715406
N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 59330713
2-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
4-hydroxy-N-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154507393
7-bromo-N-(2-carbamoylphenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54705457

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide?
The IUPAC name of 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide (CID 54718441) is 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide?
The canonical SMILES for 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide is CN1C(C(=O)Nc2ccccc2)=C(O)c2c(ccc3ccccc23)S1(=O)=O.
What is the InChIKey of 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide?
The InChIKey is VYMLWVHUZXCJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-22-18(20(24)21-14-8-3-2-4-9-14)19(23)17-15-10-6-5-7-13(15)11-12-16(17)27(22,25)26/h2-12,23H,1H3,(H,21,24).
What are the key properties of 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide?
1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide is sourced from PubChem (CID 54718441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).