N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide

C13H18N2O3S — CID 51470310

IUPACN'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC
InChIInChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)13(17)15-10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyCMSKZLVHHJFFID-SECBINFHSA-N
MW282.37 g/mol
LogP1.50
Rot. Bonds5

About N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide

N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide (PubChem CID 51470310) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
PubChem CID51470310
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC
InChIInChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)13(17)15-10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyCMSKZLVHHJFFID-SECBINFHSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895040
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
N-(3-methoxypropyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108506360
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
N-(5-chloro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)oxamide
CID 44996125
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
2-anilino-N-(1-methoxypropan-2-yl)benzamide
CID 51144275
(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide (CID 51470310) is N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide is COC[C@@H](C)NC(=O)C(=O)Nc1ccccc1SC.
What is the InChIKey of N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide?
The InChIKey is CMSKZLVHHJFFID-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(8-18-2)14-12(16)13(17)15-10-6-4-5-7-11(10)19-3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide?
N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide has a molecular weight of 282.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 51470310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).