N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

C17H23N3O6S2 — CID 3606735

IUPACN-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C17H23N3O6S2/c1-25-7-4-18-16(21)11-20-14-10-13(2-3-15(14)27-12-17(20)22)28(23,24)19-5-8-26-9-6-19/h2-3,10H,4-9,11-12H2,1H3,(H,18,21)
InChIKeyJYGOLSLJMQUAHZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP-0.09
Rot. Bonds7

About N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 3606735) has the molecular formula C17H23N3O6S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID3606735
Molecular FormulaC17H23N3O6S2
Molecular Weight429.52 g/mol
Exact Mass429.10
IUPAC NameN-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C17H23N3O6S2/c1-25-7-4-18-16(21)11-20-14-10-13(2-3-15(14)27-12-17(20)22)28(23,24)19-5-8-26-9-6-19/h2-3,10H,4-9,11-12H2,1H3,(H,18,21)
InChIKeyJYGOLSLJMQUAHZ-UHFFFAOYSA-N
XLogP-0.09
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 3606735) is N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is COCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is JYGOLSLJMQUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S2/c1-25-7-4-18-16(21)11-20-14-10-13(2-3-15(14)27-12-17(20)22)28(23,24)19-5-8-26-9-6-19/h2-3,10H,4-9,11-12H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 429.52 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 3606735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).