2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide

C15H18N2O3S — CID 3272624

IUPAC2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-9-4-6-12(7-5-9)16-13(18)8-17-14(19)10(2)21-11(3)15(17)20/h4-7,10-11H,8H2,1-3H3,(H,16,18)
InChIKeyXQVVTYRVPVWLGD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.81
Rot. Bonds3

About 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide

2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide (PubChem CID 3272624) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
PubChem CID3272624
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-9-4-6-12(7-5-9)16-13(18)8-17-14(19)10(2)21-11(3)15(17)20/h4-7,10-11H,8H2,1-3H3,(H,16,18)
InChIKeyXQVVTYRVPVWLGD-UHFFFAOYSA-N
XLogP1.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.81
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-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
2-[(2R,6R)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2148294
2-(3-methyl-2,6-dioxopiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 66073547
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 6567246
2-[(1S,2S,6R,7S,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 98164690
N-(4-acetamidophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033488
ethyl 4-[[2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]acetyl]amino]benzoate
CID 7172834
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 2148307
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584
2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2146125
2-[(1S,2R,6S,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 124719443
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide (CID 3272624) is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1.
What is the InChIKey of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is XQVVTYRVPVWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-6-12(7-5-9)16-13(18)8-17-14(19)10(2)21-11(3)15(17)20/h4-7,10-11H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide?
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3272624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).