N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide

C10H9BrFN3O2S — CID 43316429

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFN3O2S/c11-6-3-5(12)1-2-7(6)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyLOUBUYNJEWRNGO-UHFFFAOYSA-N
MW334.17 g/mol
LogP0.93
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide (PubChem CID 43316429) has the molecular formula C10H9BrFN3O2S and a molecular weight of 334.17 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
PubChem CID43316429
Molecular FormulaC10H9BrFN3O2S
Molecular Weight334.17 g/mol
Exact Mass332.96
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C10H9BrFN3O2S/c11-6-3-5(12)1-2-7(6)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyLOUBUYNJEWRNGO-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 50.93
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'}

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Related Compounds

(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-6-fluorophenyl)oxamide
CID 107600457
N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
CID 43316443
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N-(2-amino-2-sulfanylideneethyl)-N'-[4-bromo-3-(trifluoromethyl)phenyl]oxamide
CID 64854956
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
N-(2-bromo-4-fluorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224762
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
1-(2-bromo-4-fluorophenyl)-3-propylthiourea
CID 115583541
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
N-(2-bromo-4-fluorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724601

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide (CID 43316429) is N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide is NC(=S)CNC(=O)C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide?
The InChIKey is LOUBUYNJEWRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S/c11-6-3-5(12)1-2-7(6)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide has a molecular weight of 334.17 g/mol, XLogP of 0.93, 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'-(2-bromo-4-fluorophenyl)oxamide is sourced from PubChem (CID 43316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).