N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

C22H20N2O2S — CID 108515146

IUPACN-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1C
InChIInChI=1S/C22H20N2O2S/c1-15-12-13-17(14-16(15)2)23-21(25)22(26)24-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyZPRXLAHNVHRPMM-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.03
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide

N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (PubChem CID 108515146) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
PubChem CID108515146
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1C
InChIInChI=1S/C22H20N2O2S/c1-15-12-13-17(14-16(15)2)23-21(25)22(26)24-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyZPRXLAHNVHRPMM-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.03
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-(3-chloro-4-methoxyphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108501172
N-(4-amino-3-chlorophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515097
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
N-(3,4-dimethylphenyl)-N'-naphthalen-1-yloxamide
CID 108523122
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
N-(2-chloro-3-pyridinyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515125

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide (CID 108515146) is N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccccc2Sc2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
The InChIKey is ZPRXLAHNVHRPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-12-13-17(14-16(15)2)23-21(25)22(26)24-19-10-6-7-11-20(19)27-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide?
N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide has a molecular weight of 376.48 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide is sourced from PubChem (CID 108515146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).