2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide

C16H24N2O3S — CID 99841875

IUPAC2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide
SMILESCCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-5-18(6-2)16(20)11-22(21)10-15(19)17-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,19)/t22-/m1/s1
InChIKeyVKLFCEPXJKXTTA-JOCHJYFZSA-N
MW324.45 g/mol
LogP1.86
Rot. Bonds7

About 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide

2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 99841875) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID99841875
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide
SMILESCCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-5-18(6-2)16(20)11-22(21)10-15(19)17-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,19)/t22-/m1/s1
InChIKeyVKLFCEPXJKXTTA-JOCHJYFZSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N,N-diethylpropanamide
CID 111054577
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide (CID 99841875) is 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide is CCN(CC)C(=O)C[S@](=O)CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VKLFCEPXJKXTTA-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-5-18(6-2)16(20)11-22(21)10-15(19)17-14-8-12(3)7-13(4)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,19)/t22-/m1/s1.
What are the key properties of 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide?
2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 99841875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).