N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide

C22H20N2O2S — CID 108515113

IUPACN'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O2S/c1-2-24(17-11-5-3-6-12-17)22(26)21(25)23-19-15-9-10-16-20(19)27-18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,23,25)
InChIKeyFFHILESKNQCQEG-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.83
Rot. Bonds5

About N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide

N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515113) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515113
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2O2S/c1-2-24(17-11-5-3-6-12-17)22(26)21(25)23-19-15-9-10-16-20(19)27-18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,23,25)
InChIKeyFFHILESKNQCQEG-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylsulfanylphenyl)-N',N'-dipropyloxamide
CID 108515194
N',N'-bis(2-hydroxyethyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108509806
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N-methyl-N-phenyl-2-(2-phenylsulfanylanilino)acetamide
CID 24583235
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
(Z)-2-cyano-3-(N-methylanilino)-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857116
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide (CID 108515113) is N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide is CCN(C(=O)C(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is FFHILESKNQCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-2-24(17-11-5-3-6-12-17)22(26)21(25)23-19-15-9-10-16-20(19)27-18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,23,25).
What are the key properties of N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide?
N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 376.48 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-phenyl-N-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).