N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide

C11H12ClN3O2S — CID 43316414

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)5-14-10(16)11(17)15-6-9(13)18/h1-4H,5-6H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyQGMGFHFTXOAOAT-UHFFFAOYSA-N
MW285.76 g/mol
LogP0.36
Rot. Bonds4

About N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide (PubChem CID 43316414) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide
PubChem CID43316414
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESNC(=S)CNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)5-14-10(16)11(17)15-6-9(13)18/h1-4H,5-6H2,(H2,13,18)(H,14,16)(H,15,17)
InChIKeyQGMGFHFTXOAOAT-UHFFFAOYSA-N
XLogP0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 50.36
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-[2-(4-chlorophenyl)ethyl]oxamide
CID 61380460
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
N-(2-amino-2-sulfanylideneethyl)-N'-(2,5-dichlorophenyl)oxamide
CID 43316125
N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
CID 3033254
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
1-[(4-chlorophenyl)methylcarbamothioyl]-1-propan-2-ylurea
CID 88558790
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N'-(3-aminopropyl)-N-[(4-chlorophenyl)methyl]-N'-formyloxamide
CID 108507762
N-[(4-chlorophenyl)methyl]-N'-(cyclohexylideneamino)oxamide
CID 2844400
N'-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7769074

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide (CID 43316414) is N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide is NC(=S)CNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide?
The InChIKey is QGMGFHFTXOAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-8-3-1-7(2-4-8)5-14-10(16)11(17)15-6-9(13)18/h1-4H,5-6H2,(H2,13,18)(H,14,16)(H,15,17).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[(4-chlorophenyl)methyl]oxamide has a molecular weight of 285.76 g/mol, XLogP of 0.36, 4 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-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 43316414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).