2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide

C17H22N2O3S — CID 2148294

IUPAC2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c(C)c1
InChIInChI=1S/C17H22N2O3S/c1-9-6-10(2)15(11(3)7-9)18-14(20)8-19-16(21)12(4)23-13(5)17(19)22/h6-7,12-13H,8H2,1-5H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyQALBWXLJAJJXTN-CHWSQXEVSA-N
MW334.44 g/mol
LogP2.43
Rot. Bonds3

About 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2148294) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2148294
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c(C)c1
InChIInChI=1S/C17H22N2O3S/c1-9-6-10(2)15(11(3)7-9)18-14(20)8-19-16(21)12(4)23-13(5)17(19)22/h6-7,12-13H,8H2,1-5H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyQALBWXLJAJJXTN-CHWSQXEVSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 7757167
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 2148314
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 171702269
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 17129339
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 2148294) is 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c(C)c1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QALBWXLJAJJXTN-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-9-6-10(2)15(11(3)7-9)18-14(20)8-19-16(21)12(4)23-13(5)17(19)22/h6-7,12-13H,8H2,1-5H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2148294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).