N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C18H20N4O8S — CID 3974867

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O8S/c1-28-15-5-4-13(31(26,27)21-7-9-29-10-8-21)11-14(15)20-17(23)12-30-16-3-2-6-19-18(16)22(24)25/h2-6,11H,7-10,12H2,1H3,(H,20,23)
InChIKeyKFYIDMNEXCAYLX-UHFFFAOYSA-N
MW452.45 g/mol
LogP1.04
Rot. Bonds8

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3974867) has the molecular formula C18H20N4O8S and a molecular weight of 452.45 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3974867
Molecular FormulaC18H20N4O8S
Molecular Weight452.45 g/mol
Exact Mass452.10
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C18H20N4O8S/c1-28-15-5-4-13(31(26,27)21-7-9-29-10-8-21)11-14(15)20-17(23)12-30-16-3-2-6-19-18(16)22(24)25/h2-6,11H,7-10,12H2,1H3,(H,20,23)
InChIKeyKFYIDMNEXCAYLX-UHFFFAOYSA-N
XLogP1.04
TPSA150.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669560
2-(2-methoxyphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92673181
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24649288
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26065401
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3974867) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is KFYIDMNEXCAYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O8S/c1-28-15-5-4-13(31(26,27)21-7-9-29-10-8-21)11-14(15)20-17(23)12-30-16-3-2-6-19-18(16)22(24)25/h2-6,11H,7-10,12H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 452.45 g/mol, XLogP of 1.04, 8 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-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3974867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).