2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H26N4O6S — CID 51924820

IUPAC2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1/C(N)=N\OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O6S/c1-15-7-8-16(13-19(15)32(27,28)25-9-11-30-12-10-25)23-20(26)14-31-24-21(22)17-5-3-4-6-18(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeySEASIZVSWWYJRV-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.30
Rot. Bonds8

About 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 51924820) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID51924820
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1/C(N)=N\OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O6S/c1-15-7-8-16(13-19(15)32(27,28)25-9-11-30-12-10-25)23-20(26)14-31-24-21(22)17-5-3-4-6-18(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeySEASIZVSWWYJRV-UHFFFAOYSA-N
XLogP1.30
TPSA132.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(2-oxo-1H-pyridin-3-yl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 136693013
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-yloxyacetamide
CID 26218315
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 27985457

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 51924820) is 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccccc1/C(N)=N\OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SEASIZVSWWYJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-15-7-8-16(13-19(15)32(27,28)25-9-11-30-12-10-25)23-20(26)14-31-24-21(22)17-5-3-4-6-18(17)29-2/h3-8,13H,9-12,14H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 462.53 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51924820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).