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

C19H19N3O2S — CID 53182619

IUPACN-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
SMILESCCN1C(=O)c2cccnc2Sc2cc(NC(=O)C3CCC3)ccc21
InChIInChI=1S/C19H19N3O2S/c1-2-22-15-9-8-13(21-17(23)12-5-3-6-12)11-16(15)25-18-14(19(22)24)7-4-10-20-18/h4,7-12H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyKVCGETBREUSIAA-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.95
Rot. Bonds3

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

N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide (PubChem CID 53182619) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
PubChem CID53182619
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
SMILESCCN1C(=O)c2cccnc2Sc2cc(NC(=O)C3CCC3)ccc21
InChIInChI=1S/C19H19N3O2S/c1-2-22-15-9-8-13(21-17(23)12-5-3-6-12)11-16(15)25-18-14(19(22)24)7-4-10-20-18/h4,7-12H,2-3,5-6H2,1H3,(H,21,23)
InChIKeyKVCGETBREUSIAA-UHFFFAOYSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
CID 53182710
N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)-5-methylthiophene-2-carboxamide
CID 53182630
5-bromo-N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
CID 53182593
2-(4-chlorophenoxy)-N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
CID 53182663
6-ethyl-5-oxo-N-(oxolan-2-ylmethyl)pyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173381
N-(2-ethoxyphenyl)-6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173406
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
CID 53182583
N-[(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide
CID 53040326
N-(5-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)cyclohexanecarboxamide
CID 53034915
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
CID 53182517
N-(4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide
CID 46341034
N-(3-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide
CID 20887841

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide (CID 53182619) is N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide is CCN1C(=O)c2cccnc2Sc2cc(NC(=O)C3CCC3)ccc21.
What is the InChIKey of N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide?
The InChIKey is KVCGETBREUSIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-22-15-9-8-13(21-17(23)12-5-3-6-12)11-16(15)25-18-14(19(22)24)7-4-10-20-18/h4,7-12H,2-3,5-6H2,1H3,(H,21,23).
What are the key properties of N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide?
N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide is sourced from PubChem (CID 53182619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).