2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C15H18N4O4S2 — CID 55411737

IUPAC2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccsc2)c1
InChIInChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)13-5-3-4-12(8-13)17-14(20)9-23-18-15(16)11-6-7-24-10-11/h3-8,10H,9H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyNSBGAAPCFNPKGX-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.27
Rot. Bonds7

About 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 55411737) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID55411737
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC Name2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccsc2)c1
InChIInChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)13-5-3-4-12(8-13)17-14(20)9-23-18-15(16)11-6-7-24-10-11/h3-8,10H,9H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyNSBGAAPCFNPKGX-UHFFFAOYSA-N
XLogP1.27
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-yl)methylidene]amino]oxy-N-(3-chlorophenyl)acetamide
CID 51228642
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate
CID 16565399
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
trans-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020632
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 55411737) is 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CO/N=C(/N)c2ccsc2)c1.
What is the InChIKey of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is NSBGAAPCFNPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c1-19(2)25(21,22)13-5-3-4-12(8-13)17-14(20)9-23-18-15(16)11-6-7-24-10-11/h3-8,10H,9H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino(thiophen-3-yl)methylidene]amino]oxy-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55411737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).