1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide

C25H24N2O5S — CID 28592804

IUPAC1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCOc1cc2c(cc1OC)N(Cc1ccccc1)S(=O)(=O)C(C(=O)Nc1ccccc1)=C2C
InChIInChI=1S/C25H24N2O5S/c1-17-20-14-22(31-2)23(32-3)15-21(20)27(16-18-10-6-4-7-11-18)33(29,30)24(17)25(28)26-19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyBAMSSVAMBWCMGM-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.42
Rot. Bonds6

About 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide

1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592804) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592804
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCOc1cc2c(cc1OC)N(Cc1ccccc1)S(=O)(=O)C(C(=O)Nc1ccccc1)=C2C
InChIInChI=1S/C25H24N2O5S/c1-17-20-14-22(31-2)23(32-3)15-21(20)27(16-18-10-6-4-7-11-18)33(29,30)24(17)25(28)26-19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyBAMSSVAMBWCMGM-UHFFFAOYSA-N
XLogP4.42
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide (CID 28592804) is 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide is COc1cc2c(cc1OC)N(Cc1ccccc1)S(=O)(=O)C(C(=O)Nc1ccccc1)=C2C.
What is the InChIKey of 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is BAMSSVAMBWCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-17-20-14-22(31-2)23(32-3)15-21(20)27(16-18-10-6-4-7-11-18)33(29,30)24(17)25(28)26-19-12-8-5-9-13-19/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide?
1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6,7-dimethoxy-4-methyl-2,2-dioxo-N-phenyl-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).