2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide

C17H26F3N5O3S — CID 58561649

IUPAC2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide
SMILESCn1cnc(S(=O)(=O)N2CCN(C3(CNC(=O)C(F)(F)F)CCCCC3)CC2)c1
InChIInChI=1S/C17H26F3N5O3S/c1-23-11-14(22-13-23)29(27,28)25-9-7-24(8-10-25)16(5-3-2-4-6-16)12-21-15(26)17(18,19)20/h11,13H,2-10,12H2,1H3,(H,21,26)
InChIKeyOLUCJSNJNKXBEM-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.11
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide (PubChem CID 58561649) has the molecular formula C17H26F3N5O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide
PubChem CID58561649
Molecular FormulaC17H26F3N5O3S
Molecular Weight437.49 g/mol
Exact Mass437.17
IUPAC Name2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide
SMILESCn1cnc(S(=O)(=O)N2CCN(C3(CNC(=O)C(F)(F)F)CCCCC3)CC2)c1
InChIInChI=1S/C17H26F3N5O3S/c1-23-11-14(22-13-23)29(27,28)25-9-7-24(8-10-25)16(5-3-2-4-6-16)12-21-15(26)17(18,19)20/h11,13H,2-10,12H2,1H3,(H,21,26)
InChIKeyOLUCJSNJNKXBEM-UHFFFAOYSA-N
XLogP1.11
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide (CID 58561649) is 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide is Cn1cnc(S(=O)(=O)N2CCN(C3(CNC(=O)C(F)(F)F)CCCCC3)CC2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide?
The InChIKey is OLUCJSNJNKXBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O3S/c1-23-11-14(22-13-23)29(27,28)25-9-7-24(8-10-25)16(5-3-2-4-6-16)12-21-15(26)17(18,19)20/h11,13H,2-10,12H2,1H3,(H,21,26).
What are the key properties of 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide has a molecular weight of 437.49 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 58561649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).