1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide

C16H14N2O4S — CID 7085957

IUPAC1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(=O)C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,15H,1H3,(H,17,20)
InChIKeyAPCWWEVKMYSFDH-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide

1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide (PubChem CID 7085957) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide
PubChem CID7085957
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(=O)C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,15H,1H3,(H,17,20)
InChIKeyAPCWWEVKMYSFDH-UHFFFAOYSA-N
XLogP1.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592084
4-[[(3S)-2-methyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carbonyl]amino]benzoic acid
CID 7767604
3-oxo-N-phenyl-1-benzofuran-2-carboxamide
CID 14294430
N-(3,4-dichlorophenyl)-2,2,4-trioxo-1H-isothiochromene-3-carboxamide
CID 134125272
6,7-dimethyl-4-oxo-N,1-diphenyl-2,3-dihydroquinoline-3-carboxamide
CID 54175267
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylthiourea
CID 15167831
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
(3R,4R)-1-methyl-N,4-diphenylpyrrolidine-3-carboxamide
CID 100894597
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
2,3-dioxo-N-phenylindole-1-carboxamide
CID 3582125
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide?
The IUPAC name of 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide (CID 7085957) is 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide is CN1c2ccccc2C(=O)C(C(=O)Nc2ccccc2)S1(=O)=O.
What is the InChIKey of 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide?
The InChIKey is APCWWEVKMYSFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-18-13-10-6-5-9-12(13)14(19)15(23(18,21)22)16(20)17-11-7-3-2-4-8-11/h2-10,15H,1H3,(H,17,20).
What are the key properties of 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide?
1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2,4-trioxo-N-phenyl-2lambda6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 7085957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).