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

C24H19FN4O3S — CID 90130417

IUPAC4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C24H19FN4O3S/c1-15-2-4-17(12-20(15)23-7-3-16-14-26-9-8-22(16)28-23)27-24(30)19-6-5-18(13-21(19)25)29-10-11-33(29,31)32/h2-9,12-14H,10-11H2,1H3,(H,27,30)
InChIKeyDFMSTPVMXQDKCN-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.15
Rot. Bonds4

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

4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 90130417) has the molecular formula C24H19FN4O3S and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
PubChem CID90130417
Molecular FormulaC24H19FN4O3S
Molecular Weight462.51 g/mol
Exact Mass462.12
IUPAC Name4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C24H19FN4O3S/c1-15-2-4-17(12-20(15)23-7-3-16-14-26-9-8-22(16)28-23)27-24(30)19-6-5-18(13-21(19)25)29-10-11-33(29,31)32/h2-9,12-14H,10-11H2,1H3,(H,27,30)
InChIKeyDFMSTPVMXQDKCN-UHFFFAOYSA-N
XLogP4.15
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.15
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-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide (CID 90130417) is 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N3CCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1.
What is the InChIKey of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is DFMSTPVMXQDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3S/c1-15-2-4-17(12-20(15)23-7-3-16-14-26-9-8-22(16)28-23)27-24(30)19-6-5-18(13-21(19)25)29-10-11-33(29,31)32/h2-9,12-14H,10-11H2,1H3,(H,27,30).
What are the key properties of 4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
4-(1,1-dioxothiazetidin-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 4.15, 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-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 90130417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).