N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide

C22H19ClN2O2S — CID 108515250

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN2O2S/c1-14-12-15(2)20(17(23)13-14)25-22(27)21(26)24-18-10-6-7-11-19(18)28-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyNVAKFLZTOJCBAW-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.69
Rot. Bonds4

About N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide

N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515250) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515250
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H19ClN2O2S/c1-14-12-15(2)20(17(23)13-14)25-22(27)21(26)24-18-10-6-7-11-19(18)28-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyNVAKFLZTOJCBAW-UHFFFAOYSA-N
XLogP5.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.69
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

(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108857060
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515146
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide (CID 108515250) is N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is NVAKFLZTOJCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-14-12-15(2)20(17(23)13-14)25-22(27)21(26)24-18-10-6-7-11-19(18)28-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 410.93 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).