4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide

C25H24N2O3S — CID 75767961

IUPAC4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(OCc3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-3-27-21-11-7-8-12-22(21)31-25(2,24(27)29)23(28)26-19-13-15-20(16-14-19)30-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,26,28)
InChIKeyDSORTJRQSXRQFX-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.12
Rot. Bonds6

About 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide

4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide (PubChem CID 75767961) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
PubChem CID75767961
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(OCc3ccccc3)cc2)Sc2ccccc21
InChIInChI=1S/C25H24N2O3S/c1-3-27-21-11-7-8-12-22(21)31-25(2,24(27)29)23(28)26-19-13-15-20(16-14-19)30-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,26,28)
InChIKeyDSORTJRQSXRQFX-UHFFFAOYSA-N
XLogP5.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.12
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

N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767979
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 7182004
4-ethyl-2-methyl-3-oxo-N-[3-(propylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,4-benzothiazine-2-carboxamide
CID 75769338
N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767813
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
CID 75768621
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 16545038
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide (CID 75767961) is 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2ccc(OCc3ccccc3)cc2)Sc2ccccc21.
What is the InChIKey of 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide?
The InChIKey is DSORTJRQSXRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-27-21-11-7-8-12-22(21)31-25(2,24(27)29)23(28)26-19-13-15-20(16-14-19)30-17-18-9-5-4-6-10-18/h4-16H,3,17H2,1-2H3,(H,26,28).
What are the key properties of 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide?
4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).