4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide

C18H25N3O3S — CID 3238636

IUPAC4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C18H25N3O3S/c1-2-21-15-12-14(4-5-16(15)25-13-17(21)22)18(23)19-6-3-7-20-8-10-24-11-9-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,23)
InChIKeyLCVGAVAUDDKZTO-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.60
Rot. Bonds6

About 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide

4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 3238636) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID3238636
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C18H25N3O3S/c1-2-21-15-12-14(4-5-16(15)25-13-17(21)22)18(23)19-6-3-7-20-8-10-24-11-9-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,23)
InChIKeyLCVGAVAUDDKZTO-UHFFFAOYSA-N
XLogP1.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Apadoline
CID 179334
N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 2209610
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
4-benzyl-6-[(4-methylpiperazin-1-yl)carbonyl]-3,4-dihydro-2H-1,4-benzothiazine
CID 20876259
N-{1-[3-(3-Oxo-2,3-dihydro-benzo[1,4]thiazin-4-yl)-propyl]-piperidin-4-yl}-2-phenyl-acetamide
CID 44207208
(2r)-2-Methyl-3-Oxo-4h-1,4-Benzothiazine-6-Carbohydroxamic Acid
CID 25374595
6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 677722
3-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinylcarbonyl)phenyl]propanamide
CID 989330
2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989339
N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide
CID 2954597
4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxo-1,4-benzothiazine-6-carboxamide
CID 3235672

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide (CID 3238636) is 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide is CCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21.
What is the InChIKey of 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is LCVGAVAUDDKZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-2-21-15-12-14(4-5-16(15)25-13-17(21)22)18(23)19-6-3-7-20-8-10-24-11-9-20/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,23).
What are the key properties of 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide?
4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-morpholin-4-ylpropyl)-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 3238636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).