N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide

C19H21N3O8S — CID 3892658

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O8S/c1-28-18-7-6-16(31(26,27)21-8-10-29-11-9-21)12-17(18)20-19(23)13-30-15-4-2-14(3-5-15)22(24)25/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyJUBAIHHPYKPHHY-UHFFFAOYSA-N
MW451.46 g/mol
LogP1.64
Rot. Bonds8

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 3892658) has the molecular formula C19H21N3O8S and a molecular weight of 451.46 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID3892658
Molecular FormulaC19H21N3O8S
Molecular Weight451.46 g/mol
Exact Mass451.10
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O8S/c1-28-18-7-6-16(31(26,27)21-8-10-29-11-9-21)12-17(18)20-19(23)13-30-15-4-2-14(3-5-15)22(24)25/h2-7,12H,8-11,13H2,1H3,(H,20,23)
InChIKeyJUBAIHHPYKPHHY-UHFFFAOYSA-N
XLogP1.64
TPSA137.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3974867
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26065401
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893310
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669560
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
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-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide (CID 3892658) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is JUBAIHHPYKPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O8S/c1-28-18-7-6-16(31(26,27)21-8-10-29-11-9-21)12-17(18)20-19(23)13-30-15-4-2-14(3-5-15)22(24)25/h2-7,12H,8-11,13H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 451.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 3892658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).