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

C20H15N3O2S — CID 53182583

IUPACN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H15N3O2S/c1-23-16-10-9-14(22-18(24)13-6-3-2-4-7-13)12-17(16)26-19-15(20(23)25)8-5-11-21-19/h2-12H,1H3,(H,22,24)
InChIKeyWDGKZBAYDGHXMN-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.08
Rot. Bonds2

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

N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide (PubChem CID 53182583) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
PubChem CID53182583
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H15N3O2S/c1-23-16-10-9-14(22-18(24)13-6-3-2-4-7-13)12-17(16)26-19-15(20(23)25)8-5-11-21-19/h2-12H,1H3,(H,22,24)
InChIKeyWDGKZBAYDGHXMN-UHFFFAOYSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-(4-methylphenyl)-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173341
N-(3,4-difluorophenyl)-6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173355
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
CID 53182517
N-(2-fluoro-4-methylphenyl)-6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173371
4-cyano-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)benzamide
CID 46365573
3-methyl-N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
CID 53182713
5-chloro-N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
CID 53182689
N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)-5-methylthiophene-2-carboxamide
CID 53182630
N-(3,5-dimethoxyphenyl)-5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173476
5-bromo-N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
CID 53182593
N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
CID 53182710
5-methyl-6-oxopyrido[2,3-b][1,4]benzothiazepine-9-carboxylic acid
CID 53212083

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The IUPAC name of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide (CID 53182583) is N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide.
What is the SMILES notation for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The canonical SMILES for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide is CN1C(=O)c2cccnc2Sc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
The InChIKey is WDGKZBAYDGHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-23-16-10-9-14(22-18(24)13-6-3-2-4-7-13)12-17(16)26-19-15(20(23)25)8-5-11-21-19/h2-12H,1H3,(H,22,24).
What are the key properties of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide?
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide has a molecular weight of 361.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide is sourced from PubChem (CID 53182583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).