N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide

C20H14Cl2N2O2S — CID 108515224

IUPACN'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-13-10-14(22)12-15(11-13)23-19(25)20(26)24-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-12H,(H,23,25)(H,24,26)
InChIKeyQJKZEHYNUJFZKE-UHFFFAOYSA-N
MW417.32 g/mol
LogP5.72
Rot. Bonds4

About N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide

N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515224) has the molecular formula C20H14Cl2N2O2S and a molecular weight of 417.32 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515224
Molecular FormulaC20H14Cl2N2O2S
Molecular Weight417.32 g/mol
Exact Mass416.02
IUPAC NameN'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H14Cl2N2O2S/c21-13-10-14(22)12-15(11-13)23-19(25)20(26)24-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-12H,(H,23,25)(H,24,26)
InChIKeyQJKZEHYNUJFZKE-UHFFFAOYSA-N
XLogP5.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.32
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108501172
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
CID 3059478
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide (CID 108515224) is N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is QJKZEHYNUJFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2S/c21-13-10-14(22)12-15(11-13)23-19(25)20(26)24-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-12H,(H,23,25)(H,24,26).
What are the key properties of N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide?
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 417.32 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).