2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C23H37N3O3S — CID 54764523

IUPAC2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(C)cccc3C)CCCCC2)CC1
InChIInChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-13-25(14-16-26)23(11-6-5-7-12-23)18-24-22(27)21-19(2)9-8-10-20(21)3/h8-10H,4-7,11-18H2,1-3H3,(H,24,27)
InChIKeyBUNGAYMFFXRECB-UHFFFAOYSA-N
MW435.63 g/mol
LogP3.09
Rot. Bonds7

About 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 54764523) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID54764523
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC Name2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(C)cccc3C)CCCCC2)CC1
InChIInChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-13-25(14-16-26)23(11-6-5-7-12-23)18-24-22(27)21-19(2)9-8-10-20(21)3/h8-10H,4-7,11-18H2,1-3H3,(H,24,27)
InChIKeyBUNGAYMFFXRECB-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 54764523) is 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(C)cccc3C)CCCCC2)CC1.
What is the InChIKey of 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is BUNGAYMFFXRECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-4-17-30(28,29)26-15-13-25(14-16-26)23(11-6-5-7-12-23)18-24-22(27)21-19(2)9-8-10-20(21)3/h8-10H,4-7,11-18H2,1-3H3,(H,24,27).
What are the key properties of 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 435.63 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 54764523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).