4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide

C24H19FN4O4S — CID 90129842

IUPAC4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCOCS2(=O)=O)cc1F
InChIInChI=1S/C24H19FN4O4S/c25-21-13-19(29-10-11-33-15-34(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/h1-9,12-14H,10-11,15H2,(H,27,30)
InChIKeyPXNASJYTJDUKHA-UHFFFAOYSA-N
MW478.51 g/mol
LogP3.81
Rot. Bonds4

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

4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 90129842) has the molecular formula C24H19FN4O4S and a molecular weight of 478.51 g/mol. Its IUPAC name is 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
PubChem CID90129842
Molecular FormulaC24H19FN4O4S
Molecular Weight478.51 g/mol
Exact Mass478.11
IUPAC Name4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCOCS2(=O)=O)cc1F
InChIInChI=1S/C24H19FN4O4S/c25-21-13-19(29-10-11-33-15-34(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/h1-9,12-14H,10-11,15H2,(H,27,30)
InChIKeyPXNASJYTJDUKHA-UHFFFAOYSA-N
XLogP3.81
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide (CID 90129842) is 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc3cnccc3n2)c1)c1ccc(N2CCOCS2(=O)=O)cc1F.
What is the InChIKey of 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is PXNASJYTJDUKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4S/c25-21-13-19(29-10-11-33-15-34(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/h1-9,12-14H,10-11,15H2,(H,27,30).
What are the key properties of 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 478.51 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 90129842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).