N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide

C11H9BrF3N3O2S — CID 64854956

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H9BrF3N3O2S/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)9(19)17-4-8(16)21/h1-3H,4H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyVOVSSORALLCVBS-UHFFFAOYSA-N
MW384.18 g/mol
LogP1.81
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 64854956) has the molecular formula C11H9BrF3N3O2S and a molecular weight of 384.18 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
PubChem CID64854956
Molecular FormulaC11H9BrF3N3O2S
Molecular Weight384.18 g/mol
Exact Mass382.96
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H9BrF3N3O2S/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)9(19)17-4-8(16)21/h1-3H,4H2,(H2,16,21)(H,17,19)(H,18,20)
InChIKeyVOVSSORALLCVBS-UHFFFAOYSA-N
XLogP1.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamothioylamino]benzamide
CID 18463514
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
2-(aminomethyl)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 115431722
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(2-hydroxyethyl)urea
CID 66817245
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
CID 43316429
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957929
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]butanediamide;hydrochloride
CID 119955848
N-(2-amino-2-sulfanylideneethyl)-N'-(3-sulfamoylphenyl)oxamide
CID 43316300
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide (CID 64854956) is N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide is NC(=S)CNC(=O)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is VOVSSORALLCVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3O2S/c12-7-2-1-5(3-6(7)11(13,14)15)18-10(20)9(19)17-4-8(16)21/h1-3H,4H2,(H2,16,21)(H,17,19)(H,18,20).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 384.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 64854956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).