N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide

C10H9Cl2N3O2S — CID 43316125

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3O2S/c11-5-1-2-6(12)7(3-5)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyJDVOUZOKQSBGON-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.33
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide (PubChem CID 43316125) has the molecular formula C10H9Cl2N3O2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
PubChem CID43316125
Molecular FormulaC10H9Cl2N3O2S
Molecular Weight306.17 g/mol
Exact Mass304.98
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2N3O2S/c11-5-1-2-6(12)7(3-5)15-10(17)9(16)14-4-8(13)18/h1-3H,4H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyJDVOUZOKQSBGON-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 51.33
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-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
2-(2,5-dichloroanilino)ethanethioamide
CID 82083282
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
(2E)-2-amino-N-(2,5-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274928
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 61380460
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-4-fluorophenyl)oxamide
CID 43316429
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide (CID 43316125) is N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide is NC(=S)CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide?
The InChIKey is JDVOUZOKQSBGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2S/c11-5-1-2-6(12)7(3-5)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'-(2,5-dichlorophenyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide has a molecular weight of 306.17 g/mol, XLogP of 1.33, 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'-(2,5-dichlorophenyl)oxamide is sourced from PubChem (CID 43316125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).