4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

C20H14FN3O2S — CID 53182521

IUPAC4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H14FN3O2S/c1-24-16-9-8-14(23-18(25)12-4-6-13(21)7-5-12)11-17(16)27-19-15(20(24)26)3-2-10-22-19/h2-11H,1H3,(H,23,25)
InChIKeyQFTUEVSAGULENC-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.21
Rot. Bonds2

About 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide

4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide (PubChem CID 53182521) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
PubChem CID53182521
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H14FN3O2S/c1-24-16-9-8-14(23-18(25)12-4-6-13(21)7-5-12)11-17(16)27-19-15(20(24)26)3-2-10-22-19/h2-11H,1H3,(H,23,25)
InChIKeyQFTUEVSAGULENC-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide (CID 53182521) is 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide is CN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The InChIKey is QFTUEVSAGULENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-24-16-9-8-14(23-18(25)12-4-6-13(21)7-5-12)11-17(16)27-19-15(20(24)26)3-2-10-22-19/h2-11H,1H3,(H,23,25).
What are the key properties of 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide is sourced from PubChem (CID 53182521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).