2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide

C14H13F2N3O3S — CID 75621361

IUPAC2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESNC(=NOCC(=O)Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C14H13F2N3O3S/c15-14(16)22-10-5-3-9(4-6-10)18-12(20)8-21-19-13(17)11-2-1-7-23-11/h1-7,14H,8H2,(H2,17,19)(H,18,20)
InChIKeyGNPSXBCBZIPUSP-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.63
Rot. Bonds7

About 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 75621361) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID75621361
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESNC(=NOCC(=O)Nc1ccc(OC(F)F)cc1)c1cccs1
InChIInChI=1S/C14H13F2N3O3S/c15-14(16)22-10-5-3-9(4-6-10)18-12(20)8-21-19-13(17)11-2-1-7-23-11/h1-7,14H,8H2,(H2,17,19)(H,18,20)
InChIKeyGNPSXBCBZIPUSP-UHFFFAOYSA-N
XLogP2.63
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 18228701
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
N'-[[4-(difluoromethoxy)phenyl]methoxy]thiophene-2-carboximidamide
CID 94866333
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide (CID 75621361) is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide is NC(=NOCC(=O)Nc1ccc(OC(F)F)cc1)c1cccs1.
What is the InChIKey of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is GNPSXBCBZIPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c15-14(16)22-10-5-3-9(4-6-10)18-12(20)8-21-19-13(17)11-2-1-7-23-11/h1-7,14H,8H2,(H2,17,19)(H,18,20).
What are the key properties of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 75621361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).