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

C17H20N4O5S2 — CID 55411760

IUPAC2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H20N4O5S2/c18-17(13-5-10-27-12-13)20-26-11-16(22)19-14-1-3-15(4-2-14)28(23,24)21-6-8-25-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,20)(H,19,22)
InChIKeyRXDSTBSDNCVZOH-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.04
Rot. Bonds7

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

2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 55411760) has the molecular formula C17H20N4O5S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID55411760
Molecular FormulaC17H20N4O5S2
Molecular Weight424.50 g/mol
Exact Mass424.09
IUPAC Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESN/C(=N/OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccsc1
InChIInChI=1S/C17H20N4O5S2/c18-17(13-5-10-27-12-13)20-26-11-16(22)19-14-1-3-15(4-2-14)28(23,24)21-6-8-25-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,20)(H,19,22)
InChIKeyRXDSTBSDNCVZOH-UHFFFAOYSA-N
XLogP1.04
TPSA123.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.04
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-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 8760066
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717653
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2107481
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 4265032
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 55411760) is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is N/C(=N/OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccsc1.
What is the InChIKey of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is RXDSTBSDNCVZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S2/c18-17(13-5-10-27-12-13)20-26-11-16(22)19-14-1-3-15(4-2-14)28(23,24)21-6-8-25-9-7-21/h1-5,10,12H,6-9,11H2,(H2,18,20)(H,19,22).
What are the key properties of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55411760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).