2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C18H26N2O4S — CID 9186774

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)19-16(21)10-20(4)17(22)9-15-5-6-25(23,24)11-15/h7-8,15H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeySFFXOUMTFDAWDO-HNNXBMFYSA-N
MW366.48 g/mol
LogP1.83
Rot. Bonds5

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 9186774) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID9186774
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1
InChIInChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)19-16(21)10-20(4)17(22)9-15-5-6-25(23,24)11-15/h7-8,15H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeySFFXOUMTFDAWDO-HNNXBMFYSA-N
XLogP1.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 119727180
N-(2,6-dimethylphenyl)-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]acetamide
CID 9426123
2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622003
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62332937
2,2-dichloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 78775993
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 8867086
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119291380
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 9186774) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is SFFXOUMTFDAWDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-12-7-13(2)18(14(3)8-12)19-16(21)10-20(4)17(22)9-15-5-6-25(23,24)11-15/h7-8,15H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 9186774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).