N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide

C19H22N2O3S — CID 90582021

IUPACN'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-4-5-13(2)16(10-12)21-19(24)18(23)20-11-17(22)14-6-8-15(25-3)9-7-14/h4-10,17,22H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMZJREUGLGOTCGK-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.81
Rot. Bonds5

About N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide

N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide (PubChem CID 90582021) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
PubChem CID90582021
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
SMILESCSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-4-5-13(2)16(10-12)21-19(24)18(23)20-11-17(22)14-6-8-15(25-3)9-7-14/h4-10,17,22H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMZJREUGLGOTCGK-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90581652
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71803885
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 71803882
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N'-(2-methoxy-5-methylphenyl)oxamide
CID 95368322
1-(2,5-dimethylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]thiourea
CID 7028878

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide?
The IUPAC name of N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide (CID 90582021) is N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide is CSc1ccc(C(O)CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide?
The InChIKey is MZJREUGLGOTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-4-5-13(2)16(10-12)21-19(24)18(23)20-11-17(22)14-6-8-15(25-3)9-7-14/h4-10,17,22H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide?
N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide has a molecular weight of 358.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylphenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide is sourced from PubChem (CID 90582021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).