N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide

C24H20N2O5S — CID 23605516

IUPACN-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide
SMILESCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C24H20N2O5S/c1-26-23(24(28)17-10-4-2-5-11-17)22(19-14-8-9-15-20(19)32(26,29)30)25-21(27)16-31-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyJSMXBAPNVVSGRE-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.07
Rot. Bonds6

About N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide

N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide (PubChem CID 23605516) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide
PubChem CID23605516
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC NameN-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide
SMILESCN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccccc2)c2ccccc2S1(=O)=O
InChIInChI=1S/C24H20N2O5S/c1-26-23(24(28)17-10-4-2-5-11-17)22(19-14-8-9-15-20(19)32(26,29)30)25-21(27)16-31-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyJSMXBAPNVVSGRE-UHFFFAOYSA-N
XLogP3.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzoyl-1,1-dioxo-2-pentyl-1λ6,2-benzothiazin-4-yl)-2-naphthalen-2-yloxyacetamide
CID 44666434
(3-benzoyl-2-methyl-1,1-dioxo-1lambda6,2-benzothiazin-4-yl) acetate
CID 2001435
methyl 4-[2-(4-methoxyphenoxy)acetyl]oxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
CID 23612166
[2-methyl-3-(4-methylbenzoyl)-1,1-dioxo-1λ6,2-benzothiazin-4-yl] acetate
CID 46908010
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 75435846
2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1lambda6,2-benzothiazin-2-yl]-1-phenylethanone
CID 1415591
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide (CID 23605516) is N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide is CN1C(C(=O)c2ccccc2)=C(NC(=O)COc2ccccc2)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide?
The InChIKey is JSMXBAPNVVSGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-26-23(24(28)17-10-4-2-5-11-17)22(19-14-8-9-15-20(19)32(26,29)30)25-21(27)16-31-18-12-6-3-7-13-18/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide?
N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide has a molecular weight of 448.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 23605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).