2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide

C17H25N3O4S — CID 71132094

IUPAC2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)C2CC(N)=O)c(C)c1
InChIInChI=1S/C17H25N3O4S/c1-10-6-11(2)15(12(3)7-10)25(23,24)20-9-17(4,5)19-16(22)13(20)8-14(18)21/h6-7,13H,8-9H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyUFXMUPYMJNMWPV-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.75
Rot. Bonds4

About 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide

2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide (PubChem CID 71132094) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
PubChem CID71132094
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)C2CC(N)=O)c(C)c1
InChIInChI=1S/C17H25N3O4S/c1-10-6-11(2)15(12(3)7-10)25(23,24)20-9-17(4,5)19-16(22)13(20)8-14(18)21/h6-7,13H,8-9H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyUFXMUPYMJNMWPV-UHFFFAOYSA-N
XLogP0.75
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
CID 91025194
2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]-N-[(1R)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 69077465
N-[(1R)-5-[(tert-butylamino)methyl]-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 69079157
1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
CID 136529774
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
2,3-dimethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine;hydrochloride
CID 120725684
(3S)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935078
2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 22065072
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
2-[6,7-diethoxy-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 46347694
2-[(2S)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]-N-(2-phenylacetyl)acetamide
CID 1272473
N-(cyclohexylmethyl)-2-[3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 22064832

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The IUPAC name of 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide (CID 71132094) is 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide.
What is the SMILES notation for 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The canonical SMILES for 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide is Cc1cc(C)c(S(=O)(=O)N2CC(C)(C)NC(=O)C2CC(N)=O)c(C)c1.
What is the InChIKey of 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
The InChIKey is UFXMUPYMJNMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-10-6-11(2)15(12(3)7-10)25(23,24)20-9-17(4,5)19-16(22)13(20)8-14(18)21/h6-7,13H,8-9H2,1-5H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide?
2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide is sourced from PubChem (CID 71132094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).