N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C20H21N5O6S — CID 4831863

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C20H21N5O6S/c1-30-18-7-6-14(32(28,29)24-8-10-31-11-9-24)12-17(18)21-19(26)13-25-20(27)15-4-2-3-5-16(15)22-23-25/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyUOLWPHYJNJQMCJ-UHFFFAOYSA-N
MW459.48 g/mol
LogP0.46
Rot. Bonds6

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 4831863) has the molecular formula C20H21N5O6S and a molecular weight of 459.48 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID4831863
Molecular FormulaC20H21N5O6S
Molecular Weight459.48 g/mol
Exact Mass459.12
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C20H21N5O6S/c1-30-18-7-6-14(32(28,29)24-8-10-31-11-9-24)12-17(18)21-19(26)13-25-20(27)15-4-2-3-5-16(15)22-23-25/h2-7,12H,8-11,13H2,1H3,(H,21,26)
InChIKeyUOLWPHYJNJQMCJ-UHFFFAOYSA-N
XLogP0.46
TPSA132.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 4831863) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is UOLWPHYJNJQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O6S/c1-30-18-7-6-14(32(28,29)24-8-10-31-11-9-24)12-17(18)21-19(26)13-25-20(27)15-4-2-3-5-16(15)22-23-25/h2-7,12H,8-11,13H2,1H3,(H,21,26).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 459.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 4831863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).