N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide

C10H9ClFN3O2S — CID 54955496

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3O2S/c11-6-2-1-5(3-7(6)12)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyVTWWIWIBVPGQSM-UHFFFAOYSA-N
MW289.72 g/mol
LogP0.82
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide (PubChem CID 54955496) has the molecular formula C10H9ClFN3O2S and a molecular weight of 289.72 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
PubChem CID54955496
Molecular FormulaC10H9ClFN3O2S
Molecular Weight289.72 g/mol
Exact Mass289.01
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFN3O2S/c11-6-2-1-5(3-7(6)12)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyVTWWIWIBVPGQSM-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 50.82
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

N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
1-(2-amino-2-sulfanylideneethyl)-3-(3,4-dichlorophenyl)urea
CID 61127485
N'-(4-chloro-3-fluorophenyl)-N-[(E)-3-(methylamino)-2-prop-1-en-2-ylbut-2-enyl]oxamide
CID 89065894
N-(2-amino-2-sulfanylideneethyl)-N'-(4-carbamoylphenyl)oxamide
CID 43316270
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
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
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-(2-amino-2-sulfanylideneethyl)-N'-(4-ethoxyphenyl)oxamide
CID 43316147
N'-(4-chloro-3-fluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121499
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide (CID 54955496) is N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide is NC(=S)CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide?
The InChIKey is VTWWIWIBVPGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2S/c11-6-2-1-5(3-7(6)12)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'-(4-chloro-3-fluorophenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide has a molecular weight of 289.72 g/mol, XLogP of 0.82, 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-chloro-3-fluorophenyl)oxamide is sourced from PubChem (CID 54955496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).