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

C16H18N2O2S2 — CID 51895040

IUPACN-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCSc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11(10-12-6-5-9-22-12)17-15(19)16(20)18-13-7-3-4-8-14(13)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyMBVMEYDVGXHZOQ-LLVKDONJSA-N
MW334.47 g/mol
LogP3.16
Rot. Bonds5

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

N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (PubChem CID 51895040) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
PubChem CID51895040
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC NameN-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
SMILESCSc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11(10-12-6-5-9-22-12)17-15(19)16(20)18-13-7-3-4-8-14(13)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyMBVMEYDVGXHZOQ-LLVKDONJSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.16
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'-[(2R)-1-methoxypropan-2-yl]-N-(2-methylsulfanylphenyl)oxamide
CID 51470310
N-(4-pyridin-4-yloxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 99619776
[2-(2-methylsulfanylanilino)-2-oxoethyl]-bis(thiophen-2-ylmethyl)azanium
CID 8800916
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
2-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63107914
N-(3-chloro-4-methoxyphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 51895048
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804688
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
2,3-dimethyl-4-oxo-4-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 76994566

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide (CID 51895040) is N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is CSc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1cccs1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
The InChIKey is MBVMEYDVGXHZOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-11(10-12-6-5-9-22-12)17-15(19)16(20)18-13-7-3-4-8-14(13)21-2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide?
N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide has a molecular weight of 334.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-N'-[(2R)-1-thiophen-2-ylpropan-2-yl]oxamide is sourced from PubChem (CID 51895040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).