4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide

C99H83F2N15O16S4 — CID 157060016

IUPAC4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.Cc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1F
InChIInChI=1S/C26H23N3O4S.C25H22N4O4S.2C24H19FN4O4S/c1-18-6-9-21(16-24(18)25-23-5-3-2-4-19(23)12-13-27-25)28-26(30)20-7-10-22(11-8-20)29-17-33-14-15-34(29,31)32;1-17-4-7-19(15-21(17)22-10-11-23-24(28-22)3-2-12-26-23)27-25(30)18-5-8-20(9-6-18)29-16-33-13-14-34(29,31)32;25-21-14-18(29-15-33-11-12-34(29,31)32)6-7-19(21)24(30)28-17-4-1-3-16(13-17)23-20-5-2-9-26-22(20)8-10-27-23;25-21-13-19(29-15-33-10-11-34(29,31)32)5-6-20(21)24(30)27-18-3-1-2-16(12-18)22-7-4-17-14-26-9-8-23(17)28-22/h2-13,16H,14-15,17H2,1H3,(H,28,30);2-12,15H,13-14,16H2,1H3,(H,27,30);1-10,13-14H,11-12,15H2,(H,28,30);1-9,12-14H,10-11,15H2,(H,27,30)
InChIKeyABFKQCLMMSWDGA-UHFFFAOYSA-N
MW1905.11 g/mol
LogP16.19
Rot. Bonds16

About 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide

4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 157060016) has the molecular formula C99H83F2N15O16S4 and a molecular weight of 1905.11 g/mol. Its IUPAC name is 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
PubChem CID157060016
Molecular FormulaC99H83F2N15O16S4
Molecular Weight1905.11 g/mol
Exact Mass1903.50
IUPAC Name4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.Cc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1F
InChIInChI=1S/C26H23N3O4S.C25H22N4O4S.2C24H19FN4O4S/c1-18-6-9-21(16-24(18)25-23-5-3-2-4-19(23)12-13-27-25)28-26(30)20-7-10-22(11-8-20)29-17-33-14-15-34(29,31)32;1-17-4-7-19(15-21(17)22-10-11-23-24(28-22)3-2-12-26-23)27-25(30)18-5-8-20(9-6-18)29-16-33-13-14-34(29,31)32;25-21-14-18(29-15-33-11-12-34(29,31)32)6-7-19(21)24(30)28-17-4-1-3-16(13-17)23-20-5-2-9-26-22(20)8-10-27-23;25-21-13-19(29-15-33-10-11-34(29,31)32)5-6-20(21)24(30)27-18-3-1-2-16(12-18)22-7-4-17-14-26-9-8-23(17)28-22/h2-13,16H,14-15,17H2,1H3,(H,28,30);2-12,15H,13-14,16H2,1H3,(H,27,30);1-10,13-14H,11-12,15H2,(H,28,30);1-9,12-14H,10-11,15H2,(H,27,30)
InChIKeyABFKQCLMMSWDGA-UHFFFAOYSA-N
XLogP16.19
TPSA393.07 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001905.11
LogP ≤ 516.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide with MolForge

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Related Compounds

4-(1,1-dioxothiazepan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90129824
4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 90129839
4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90129842
4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90129845
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90129987
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90129992
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
CID 90130019
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130037
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130091
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-(3-isoquinolin-1-ylphenyl)benzamide
CID 90130311
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130366
4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 90130417

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide (CID 157060016) is 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1ccc2ncccc2n1.Cc1ccc(NC(=O)c2ccc(N3COCCS3(=O)=O)cc2)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2COCCS2(=O)=O)cc1F.O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2COCCS2(=O)=O)cc1F.
What is the InChIKey of 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is ABFKQCLMMSWDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S.C25H22N4O4S.2C24H19FN4O4S/c1-18-6-9-21(16-24(18)25-23-5-3-2-4-19(23)12-13-27-25)28-26(30)20-7-10-22(11-8-20)29-17-33-14-15-34(29,31)32;1-17-4-7-19(15-21(17)22-10-11-23-24(28-22)3-2-12-26-23)27-25(30)18-5-8-20(9-6-18)29-16-33-13-14-34(29,31)32;25-21-14-18(29-15-33-11-12-34(29,31)32)6-7-19(21)24(30)28-17-4-1-3-16(13-17)23-20-5-2-9-26-22(20)8-10-27-23;25-21-13-19(29-15-33-10-11-34(29,31)32)5-6-20(21)24(30)27-18-3-1-2-16(12-18)22-7-4-17-14-26-9-8-23(17)28-22/h2-13,16H,14-15,17H2,1H3,(H,28,30);2-12,15H,13-14,16H2,1H3,(H,27,30);1-10,13-14H,11-12,15H2,(H,28,30);1-9,12-14H,10-11,15H2,(H,27,30).
What are the key properties of 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide?
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 1905.11 g/mol, XLogP of 16.19, 16 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 157060016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).