2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide

C14H14ClN3O2S — CID 126800859

IUPAC2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CON=C(N)c1cccs1
InChIInChI=1S/C14H14ClN3O2S/c1-9-4-5-10(15)7-11(9)17-13(19)8-20-18-14(16)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMYGVGHXBEOHDKH-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.99
Rot. Bonds5

About 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 126800859) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID126800859
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CON=C(N)c1cccs1
InChIInChI=1S/C14H14ClN3O2S/c1-9-4-5-10(15)7-11(9)17-13(19)8-20-18-14(16)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19)
InChIKeyMYGVGHXBEOHDKH-UHFFFAOYSA-N
XLogP2.99
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 47118166
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7807897
N-[(5-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4937653
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 18076313

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide (CID 126800859) is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CON=C(N)c1cccs1.
What is the InChIKey of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is MYGVGHXBEOHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9-4-5-10(15)7-11(9)17-13(19)8-20-18-14(16)12-3-2-6-21-12/h2-7H,8H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide?
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 323.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 126800859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).