N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide

C24H20N2O5S — CID 54728120

IUPACN-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O5S/c27-20(18-11-5-2-6-12-18)16-26-22(24(29)25-15-17-9-3-1-4-10-17)23(28)19-13-7-8-14-21(19)32(26,30)31/h1-14,28H,15-16H2,(H,25,29)
InChIKeyGEQVOFINTZUONR-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide

N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54728120) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54728120
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC NameN-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O5S/c27-20(18-11-5-2-6-12-18)16-26-22(24(29)25-15-17-9-3-1-4-10-17)23(28)19-13-7-8-14-21(19)32(26,30)31/h1-14,28H,15-16H2,(H,25,29)
InChIKeyGEQVOFINTZUONR-UHFFFAOYSA-N
XLogP3.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxylate
CID 54728117
3-[hydroxy(phenyl)methylidene]-1,1-dioxo-2-phenacyl-1lambda6,2-benzothiazin-4-one
CID 1042998
methyl 4-hydroxy-1,1-dioxo-2-(2-oxopropyl)-1λ6,2-benzothiazine-3-carboxylate
CID 139074977
2-[3-benzoyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1,1-dioxo-1λ6,2-benzothiazin-2-yl]-1-phenylethanone
CID 23793542
2-[2-(4-methylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2815176
2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1lambda6,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
CID 1418939
methyl 4-[2-[3-[hydroxy(phenyl)methylidene]-1,1,4-trioxo-1λ6,2-benzothiazin-2-yl]acetyl]benzoate
CID 75180017
2-(cyanomethyl)-4-hydroxy-N-methyl-1,1-dioxo-N-phenyl-1λ6,2-benzothiazine-3-carboxamide
CID 54682994
N-benzyl-1-hydroxy-3-oxoindene-2-carboxamide
CID 54706590
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
2-[2-(4-cyclohexylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7560366
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide (CID 54728120) is N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide is O=C(NCc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1.
What is the InChIKey of N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is GEQVOFINTZUONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c27-20(18-11-5-2-6-12-18)16-26-22(24(29)25-15-17-9-3-1-4-10-17)23(28)19-13-7-8-14-21(19)32(26,30)31/h1-14,28H,15-16H2,(H,25,29).
What are the key properties of N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide?
N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-hydroxy-1,1-dioxo-2-phenacyl-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54728120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).