N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide

C18H20N2O2S — CID 108500500

IUPACN-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)15-9-4-5-10-16(15)20-18(22)17(21)19-13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyBOVUJKXZHPMMLK-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.11
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide

N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500500) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
PubChem CID108500500
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H20N2O2S/c1-12(2)15-9-4-5-10-16(15)20-18(22)17(21)19-13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,21)(H,20,22)
InChIKeyBOVUJKXZHPMMLK-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.11
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'-(2-hydroxy-5-methylphenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108520093
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
CID 108520162
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 44997522
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
dimethyl 2-[[2-(3-methylsulfanylanilino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108520101
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide (CID 108500500) is N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide?
The InChIKey is BOVUJKXZHPMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12(2)15-9-4-5-10-16(15)20-18(22)17(21)19-13-7-6-8-14(11-13)23-3/h4-12H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide?
N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide has a molecular weight of 328.44 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-N'-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).