6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide

C23H26N2O5S — CID 28610642

IUPAC6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
SMILESC=CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCc2ccccc2)S1(=O)=O
InChIInChI=1S/C23H26N2O5S/c1-5-13-25-19-15-21(30-4)20(29-3)14-18(19)16(2)22(31(25,27)28)23(26)24-12-11-17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3,(H,24,26)
InChIKeyFVVLNTPBGRSBHY-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.13
Rot. Bonds8

About 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide

6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28610642) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28610642
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
SMILESC=CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCc2ccccc2)S1(=O)=O
InChIInChI=1S/C23H26N2O5S/c1-5-13-25-19-15-21(30-4)20(29-3)14-18(19)16(2)22(31(25,27)28)23(26)24-12-11-17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3,(H,24,26)
InChIKeyFVVLNTPBGRSBHY-UHFFFAOYSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
1-benzyl-N-(2,6-diethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592839
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592739
1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592692
N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592754
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
CID 42789526
6,7-dimethoxy-4-(4-methylphenyl)-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 21209618
N-(5-chloro-2-methoxyphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814638
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide (CID 28610642) is 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide is C=CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NCCc2ccccc2)S1(=O)=O.
What is the InChIKey of 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is FVVLNTPBGRSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-5-13-25-19-15-21(30-4)20(29-3)14-18(19)16(2)22(31(25,27)28)23(26)24-12-11-17-9-7-6-8-10-17/h5-10,14-15H,1,11-13H2,2-4H3,(H,24,26).
What are the key properties of 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide?
6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28610642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).