N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C20H27N3O4S — CID 55603187

IUPACN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C20H27N3O4S/c24-19(12-23-16-3-1-2-4-18(16)28-14-20(23)25)21-11-17(15-5-8-27-13-15)22-6-9-26-10-7-22/h1-4,15,17H,5-14H2,(H,21,24)
InChIKeyGEXOMHFOSVMXLG-UHFFFAOYSA-N
MW405.52 g/mol
LogP0.98
Rot. Bonds6

About N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 55603187) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID55603187
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C20H27N3O4S/c24-19(12-23-16-3-1-2-4-18(16)28-14-20(23)25)21-11-17(15-5-8-27-13-15)22-6-9-26-10-7-22/h1-4,15,17H,5-14H2,(H,21,24)
InChIKeyGEXOMHFOSVMXLG-UHFFFAOYSA-N
XLogP0.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 55603187) is N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is GEXOMHFOSVMXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19(12-23-16-3-1-2-4-18(16)28-14-20(23)25)21-11-17(15-5-8-27-13-15)22-6-9-26-10-7-22/h1-4,15,17H,5-14H2,(H,21,24).
What are the key properties of N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 55603187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).