N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide

C20H24N2O3S — CID 75392005

IUPACN'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC(CS(C)=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-10-14(2)18(15(3)11-13)22-20(24)19(23)21-17(12-26(4)25)16-8-6-5-7-9-16/h5-11,17H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAWZIOVJPMHQXCG-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.79
Rot. Bonds5

About N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide

N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide (PubChem CID 75392005) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide
PubChem CID75392005
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NC(CS(C)=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-10-14(2)18(15(3)11-13)22-20(24)19(23)21-17(12-26(4)25)16-8-6-5-7-9-16/h5-11,17H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAWZIOVJPMHQXCG-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.79
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,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
2-(2,5-dimethylphenoxy)-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 95778372
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55381874
1-(2-methylsulfinyl-1-phenylethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 75424362
1-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 97319656
(2S)-4-oxo-2-phenyl-4-(2,4,6-trimethylanilino)butanoic acid
CID 40808566
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 121134338
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide (CID 75392005) is N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NC(CS(C)=O)c2ccccc2)c(C)c1.
What is the InChIKey of N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is AWZIOVJPMHQXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-10-14(2)18(15(3)11-13)22-20(24)19(23)21-17(12-26(4)25)16-8-6-5-7-9-16/h5-11,17H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide?
N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 372.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 75392005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).