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

C23H17FN4O3S — CID 90129758

IUPAC4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1F
InChIInChI=1S/C23H17FN4O3S/c24-20-14-17(28-11-12-32(28,30)31)6-7-18(20)23(29)27-16-4-1-3-15(13-16)22-19-5-2-9-25-21(19)8-10-26-22/h1-10,13-14H,11-12H2,(H,27,29)
InChIKeyJIBPPMNHIDIBHV-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.84
Rot. Bonds4

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

4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide (PubChem CID 90129758) has the molecular formula C23H17FN4O3S and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
PubChem CID90129758
Molecular FormulaC23H17FN4O3S
Molecular Weight448.48 g/mol
Exact Mass448.10
IUPAC Name4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1F
InChIInChI=1S/C23H17FN4O3S/c24-20-14-17(28-11-12-32(28,30)31)6-7-18(20)23(29)27-16-4-1-3-15(13-16)22-19-5-2-9-25-21(19)8-10-26-22/h1-10,13-14H,11-12H2,(H,27,29)
InChIKeyJIBPPMNHIDIBHV-UHFFFAOYSA-N
XLogP3.84
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide (CID 90129758) is 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nccc3ncccc23)c1)c1ccc(N2CCS2(=O)=O)cc1F.
What is the InChIKey of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
The InChIKey is JIBPPMNHIDIBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S/c24-20-14-17(28-11-12-32(28,30)31)6-7-18(20)23(29)27-16-4-1-3-15(13-16)22-19-5-2-9-25-21(19)8-10-26-22/h1-10,13-14H,11-12H2,(H,27,29).
What are the key properties of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide?
4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide is sourced from PubChem (CID 90129758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).