2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide

C30H24N2O4S — CID 28592330

IUPAC2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
SMILESC=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2Oc2ccccc2)S1(=O)=O
InChIInChI=1S/C30H24N2O4S/c1-2-21-32-26-19-11-9-17-24(26)28(22-13-5-3-6-14-22)29(37(32,34)35)30(33)31-25-18-10-12-20-27(25)36-23-15-7-4-8-16-23/h2-20H,1,21H2,(H,31,33)
InChIKeyUEWAJVMXOIMQJL-UHFFFAOYSA-N
MW508.60 g/mol
LogP6.21
Rot. Bonds7

About 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide

2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592330) has the molecular formula C30H24N2O4S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592330
Molecular FormulaC30H24N2O4S
Molecular Weight508.60 g/mol
Exact Mass508.15
IUPAC Name2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
SMILESC=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2Oc2ccccc2)S1(=O)=O
InChIInChI=1S/C30H24N2O4S/c1-2-21-32-26-19-11-9-17-24(26)28(22-13-5-3-6-14-22)29(37(32,34)35)30(33)31-25-18-10-12-20-27(25)36-23-15-7-4-8-16-23/h2-20H,1,21H2,(H,31,33)
InChIKeyUEWAJVMXOIMQJL-UHFFFAOYSA-N
XLogP6.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592290
N-(2,6-diethylphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592315
ethyl 2-[(1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carbonyl)amino]benzoate
CID 28592107
N-(2-phenoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 78908251
N-(2-phenoxyphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180597
1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592084
N-(2,4-dimethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610666
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-(2-phenoxyanilino)-N-prop-2-enylacetamide
CID 108992999
5-chloro-N-(2-phenoxyphenyl)thiophene-2-carboxamide
CID 841081
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986

Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide (CID 28592330) is 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide is C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2Oc2ccccc2)S1(=O)=O.
What is the InChIKey of 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is UEWAJVMXOIMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4S/c1-2-21-32-26-19-11-9-17-24(26)28(22-13-5-3-6-14-22)29(37(32,34)35)30(33)31-25-18-10-12-20-27(25)36-23-15-7-4-8-16-23/h2-20H,1,21H2,(H,31,33).
What are the key properties of 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2-phenoxyphenyl)-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).