4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide

C25H21FN4O3S — CID 90130019

IUPAC4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1F
InChIInChI=1S/C25H21FN4O3S/c26-22-16-19(30-13-1-2-14-34(30,32)33)8-9-20(22)25(31)29-18-6-3-5-17(15-18)24-21-7-4-11-27-23(21)10-12-28-24/h3-12,15-16H,1-2,13-14H2,(H,29,31)
InChIKeyBHUVXLCVEAKPJH-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.62
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide

4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide (PubChem CID 90130019) has the molecular formula C25H21FN4O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
PubChem CID90130019
Molecular FormulaC25H21FN4O3S
Molecular Weight476.53 g/mol
Exact Mass476.13
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1F
InChIInChI=1S/C25H21FN4O3S/c26-22-16-19(30-13-1-2-14-34(30,32)33)8-9-20(22)25(31)29-18-6-3-5-17(15-18)24-21-7-4-11-27-23(21)10-12-28-24/h3-12,15-16H,1-2,13-14H2,(H,29,31)
InChIKeyBHUVXLCVEAKPJH-UHFFFAOYSA-N
XLogP4.62
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide (CID 90130019) is 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCCCS2(=O)=O)cc1F.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The InChIKey is BHUVXLCVEAKPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3S/c26-22-16-19(30-13-1-2-14-34(30,32)33)8-9-20(22)25(31)29-18-6-3-5-17(15-18)24-21-7-4-11-27-23(21)10-12-28-24/h3-12,15-16H,1-2,13-14H2,(H,29,31).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide has a molecular weight of 476.53 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide is sourced from PubChem (CID 90130019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).