N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C20H20F2N2O5S — CID 28592754

IUPACN-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(F)cc2F)S1(=O)=O
InChIInChI=1S/C20H20F2N2O5S/c1-5-24-16-10-18(29-4)17(28-3)9-13(16)11(2)19(30(24,26)27)20(25)23-15-7-6-12(21)8-14(15)22/h6-10H,5H2,1-4H3,(H,23,25)
InChIKeyZXOYWTAQEGPBNW-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.52
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592754) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592754
Molecular FormulaC20H20F2N2O5S
Molecular Weight438.45 g/mol
Exact Mass438.11
IUPAC NameN-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(F)cc2F)S1(=O)=O
InChIInChI=1S/C20H20F2N2O5S/c1-5-24-16-10-18(29-4)17(28-3)9-13(16)11(2)19(30(24,26)27)20(25)23-15-7-6-12(21)8-14(15)22/h6-10H,5H2,1-4H3,(H,23,25)
InChIKeyZXOYWTAQEGPBNW-UHFFFAOYSA-N
XLogP3.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592744
N-(2,4-dimethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610666
N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 60527504
N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
1-benzyl-6,7-dimethoxy-4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592851
N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
CID 135296532
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592754) is N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(F)cc2F)S1(=O)=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is ZXOYWTAQEGPBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c1-5-24-16-10-18(29-4)17(28-3)9-13(16)11(2)19(30(24,26)27)20(25)23-15-7-6-12(21)8-14(15)22/h6-10H,5H2,1-4H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).