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

C26H23FN4O3S — CID 90130091

IUPAC4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C26H23FN4O3S/c1-17-4-6-19(14-22(17)25-9-5-18-16-28-11-10-24(18)30-25)29-26(32)21-8-7-20(15-23(21)27)31-12-2-3-13-35(31,33)34/h4-11,14-16H,2-3,12-13H2,1H3,(H,29,32)
InChIKeyILUWWVWNNLJDPO-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.93
Rot. Bonds4

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

4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide (PubChem CID 90130091) has the molecular formula C26H23FN4O3S and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
PubChem CID90130091
Molecular FormulaC26H23FN4O3S
Molecular Weight490.56 g/mol
Exact Mass490.15
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1
InChIInChI=1S/C26H23FN4O3S/c1-17-4-6-19(14-22(17)25-9-5-18-16-28-11-10-24(18)30-25)29-26(32)21-8-7-20(15-23(21)27)31-12-2-3-13-35(31,33)34/h4-11,14-16H,2-3,12-13H2,1H3,(H,29,32)
InChIKeyILUWWVWNNLJDPO-UHFFFAOYSA-N
XLogP4.93
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.93
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-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide (CID 90130091) is 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2F)cc1-c1ccc2cnccc2n1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
The InChIKey is ILUWWVWNNLJDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S/c1-17-4-6-19(14-22(17)25-9-5-18-16-28-11-10-24(18)30-25)29-26(32)21-8-7-20(15-23(21)27)31-12-2-3-13-35(31,33)34/h4-11,14-16H,2-3,12-13H2,1H3,(H,29,32).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 4.93, 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-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 90130091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).